2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile

C26H20N6O2 — CID 159028343

IUPAC2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)c2nc3nc(OC4CCNC4)ccc3[nH]2)cc1-c1cncc2c1C=CC2
InChIInChI=1S/C26H20N6O2/c27-11-16-5-4-15(10-20(16)21-14-29-12-17-2-1-3-19(17)21)24(33)26-30-22-6-7-23(31-25(22)32-26)34-18-8-9-28-13-18/h1,3-7,10,12,14,18,28H,2,8-9,13H2,(H,30,31,32)
InChIKeyJUODLZJPCVDKKX-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.43
Rot. Bonds5

About 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile

2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile (PubChem CID 159028343) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile.

Molecular Properties

Compound Name2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile
PubChem CID159028343
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC Name2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)c2nc3nc(OC4CCNC4)ccc3[nH]2)cc1-c1cncc2c1C=CC2
InChIInChI=1S/C26H20N6O2/c27-11-16-5-4-15(10-20(16)21-14-29-12-17-2-1-3-19(17)21)24(33)26-30-22-6-7-23(31-25(22)32-26)34-18-8-9-28-13-18/h1,3-7,10,12,14,18,28H,2,8-9,13H2,(H,30,31,32)
InChIKeyJUODLZJPCVDKKX-UHFFFAOYSA-N
XLogP3.43
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile?
The IUPAC name of 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile (CID 159028343) is 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile.
What is the SMILES notation for 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile?
The canonical SMILES for 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile is N#Cc1ccc(C(=O)c2nc3nc(OC4CCNC4)ccc3[nH]2)cc1-c1cncc2c1C=CC2.
What is the InChIKey of 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile?
The InChIKey is JUODLZJPCVDKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c27-11-16-5-4-15(10-20(16)21-14-29-12-17-2-1-3-19(17)21)24(33)26-30-22-6-7-23(31-25(22)32-26)34-18-8-9-28-13-18/h1,3-7,10,12,14,18,28H,2,8-9,13H2,(H,30,31,32).
What are the key properties of 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile?
2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile has a molecular weight of 448.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-cyclopenta[c]pyridin-4-yl)-4-(5-pyrrolidin-3-yloxy-1H-imidazo[4,5-b]pyridine-2-carbonyl)benzonitrile is sourced from PubChem (CID 159028343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).