3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide

C26H23N7O2 — CID 52940825

IUPAC3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2ccncc2)c1
InChIInChI=1S/C26H23N7O2/c27-15-19-5-4-6-20(13-19)24(34)31-26-30-22-14-21(25(35)32-11-2-1-3-12-32)16-29-23(22)33(26)17-18-7-9-28-10-8-18/h4-10,13-14,16H,1-3,11-12,17H2,(H,30,31,34)
InChIKeyCAZFIZMZKKSHOV-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.62
Rot. Bonds5

About 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide

3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52940825) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52940825
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2ccncc2)c1
InChIInChI=1S/C26H23N7O2/c27-15-19-5-4-6-20(13-19)24(34)31-26-30-22-14-21(25(35)32-11-2-1-3-12-32)16-29-23(22)33(26)17-18-7-9-28-10-8-18/h4-10,13-14,16H,1-3,11-12,17H2,(H,30,31,34)
InChIKeyCAZFIZMZKKSHOV-UHFFFAOYSA-N
XLogP3.62
TPSA116.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52940825) is 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nc3cc(C(=O)N4CCCCC4)cnc3n2Cc2ccncc2)c1.
What is the InChIKey of 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is CAZFIZMZKKSHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c27-15-19-5-4-6-20(13-19)24(34)31-26-30-22-14-21(25(35)32-11-2-1-3-12-32)16-29-23(22)33(26)17-18-7-9-28-10-8-18/h4-10,13-14,16H,1-3,11-12,17H2,(H,30,31,34).
What are the key properties of 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 465.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-(piperidine-1-carbonyl)-3-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52940825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).