N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

C30H28N6O — CID 58345019

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESNc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
InChIKeyNSAYDSOCAFUODA-UHFFFAOYSA-N
MW488.60 g/mol
LogP5.65
Rot. Bonds6

About N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide

N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (PubChem CID 58345019) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
PubChem CID58345019
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
SMILESNc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
InChIKeyNSAYDSOCAFUODA-UHFFFAOYSA-N
XLogP5.65
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide (CID 58345019) is N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is Nc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
The InChIKey is NSAYDSOCAFUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide?
N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide has a molecular weight of 488.60 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)-6-cyclopentylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 58345019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).