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

C27H24N6O3 — CID 52949423

IUPAC3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOc1cccc(-n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C27H24N6O3/c1-36-22-10-6-9-21(15-22)33-24-23(14-20(17-29-24)26(35)32-11-3-2-4-12-32)30-27(33)31-25(34)19-8-5-7-18(13-19)16-28/h5-10,13-15,17H,2-4,11-12H2,1H3,(H,30,31,34)
InChIKeyIKYDCWPNZBDRTP-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.18
Rot. Bonds5

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

3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52949423) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52949423
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOc1cccc(-n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C27H24N6O3/c1-36-22-10-6-9-21(15-22)33-24-23(14-20(17-29-24)26(35)32-11-3-2-4-12-32)30-27(33)31-25(34)19-8-5-7-18(13-19)16-28/h5-10,13-15,17H,2-4,11-12H2,1H3,(H,30,31,34)
InChIKeyIKYDCWPNZBDRTP-UHFFFAOYSA-N
XLogP4.18
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52949423) is 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is COc1cccc(-n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)c1.
What is the InChIKey of 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is IKYDCWPNZBDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-36-22-10-6-9-21(15-22)33-24-23(14-20(17-29-24)26(35)32-11-3-2-4-12-32)30-27(33)31-25(34)19-8-5-7-18(13-19)16-28/h5-10,13-15,17H,2-4,11-12H2,1H3,(H,30,31,34).
What are the key properties of 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 480.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52949423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).