N7B

~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide

Created:	2019-11-14
Last modified:	2024-09-27

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1 entries where N7B is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	70
Chiral Atom Count	0
Bond Count	75
Aromatic Bond Count	32

2D diagram of N7B

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Chemical Component Summary
Name	~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Formula	C₃₁ H₂₉ N₇ O₃
Molecular Weight	547.607
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6
InChI	InChI	1.03	InChI=1S/C31H29N7O3/c1-2-28(40)37-25-15-21(8-11-27(25)41-13-12-39)24-17-32-30-29(24)31(34-19-33-30)36-23-9-10-26-22(14-23)16-35-38(26)18-20-6-4-3-5-7-20/h3-11,14-17,19,39H,2,12-13,18H2,1H3,(H,37,40)(H2,32,33,34,36)
InChIKey	InChI	1.03	JWMTXHVHBHZXTN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154700554

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