FGF

N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

Created: 2019-04-02
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count0
Bond Count70
Aromatic Bond Count12
2D diagram of FGF
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Chemical Component Summary

NameN-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SynonymsRoblitinib; FGF-401
Systematic Name (OpenEye OEToolkits)~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide
FormulaC25 H30 N8 O4
Molecular Weight506.557
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
SMILESOpenEye OEToolkits2.0.6CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC
Canonical SMILESCACTVS3.385 COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Canonical SMILESOpenEye OEToolkits2.0.6 CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC
InChIInChI1.03 InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)
InChIKeyInChI1.03 BHKDKKZMPODMIQ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB16845 
NameRoblitinib
Groups investigational
SynonymsRoblitinib
CAS number1708971-55-4

Related Resource References

Resource NameReference
Pharos CHEMBL3908979
PubChem 118036971
ChEMBL CHEMBL3908979
CCDC/CSD NAKJES