4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile

C26H21N7O2 — CID 66599746

IUPAC4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile
SMILESN#Cc1ccc(C(=O)c2nc3nc(N4CCC(O)CC4)ccc3[nH]2)cc1-c1cncc2[nH]ccc12
InChIInChI=1S/C26H21N7O2/c27-12-16-2-1-15(11-19(16)20-13-28-14-22-18(20)5-8-29-22)24(35)26-30-21-3-4-23(31-25(21)32-26)33-9-6-17(34)7-10-33/h1-5,8,11,13-14,17,29,34H,6-7,9-10H2,(H,30,31,32)
InChIKeySVSQYSGVBLHFIR-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.56
Rot. Bonds4

About 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile

4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile (PubChem CID 66599746) has the molecular formula C26H21N7O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile.

Molecular Properties

Compound Name4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile
PubChem CID66599746
Molecular FormulaC26H21N7O2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC Name4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile
SMILESN#Cc1ccc(C(=O)c2nc3nc(N4CCC(O)CC4)ccc3[nH]2)cc1-c1cncc2[nH]ccc12
InChIInChI=1S/C26H21N7O2/c27-12-16-2-1-15(11-19(16)20-13-28-14-22-18(20)5-8-29-22)24(35)26-30-21-3-4-23(31-25(21)32-26)33-9-6-17(34)7-10-33/h1-5,8,11,13-14,17,29,34H,6-7,9-10H2,(H,30,31,32)
InChIKeySVSQYSGVBLHFIR-UHFFFAOYSA-N
XLogP3.56
TPSA134.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile?
The IUPAC name of 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile (CID 66599746) is 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile.
What is the SMILES notation for 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile?
The canonical SMILES for 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile is N#Cc1ccc(C(=O)c2nc3nc(N4CCC(O)CC4)ccc3[nH]2)cc1-c1cncc2[nH]ccc12.
What is the InChIKey of 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile?
The InChIKey is SVSQYSGVBLHFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O2/c27-12-16-2-1-15(11-19(16)20-13-28-14-22-18(20)5-8-29-22)24(35)26-30-21-3-4-23(31-25(21)32-26)33-9-6-17(34)7-10-33/h1-5,8,11,13-14,17,29,34H,6-7,9-10H2,(H,30,31,32).
What are the key properties of 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile?
4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile has a molecular weight of 463.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)benzonitrile is sourced from PubChem (CID 66599746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).