R1W

~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide

Created:	2020-08-25
Last modified:	2024-09-27

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1 entries where R1W is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	0
Bond Count	69
Aromatic Bond Count	22

2D diagram of R1W

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Chemical Component Summary
Name	~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
Formula	C₂₈ H₃₀ Cl N₅ O
Molecular Weight	488.024
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl
InChI	InChI	1.03	InChI=1S/C28H30ClN5O/c1-4-24(35)31-23-17-20(6-5-18(23)2)25-26-22(29)11-12-30-28(26)32-27(25)19-7-9-21(10-8-19)34-15-13-33(3)14-16-34/h5-12,17H,4,13-16H2,1-3H3,(H,30,32)(H,31,35)
InChIKey	InChI	1.03	NLGFTGWFBAHOPF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146411125

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