[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone

C23H24ClN5O2 — CID 134796094

IUPAC[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C23H24ClN5O2/c24-18-5-2-1-4-17(18)23(31)29-13-9-16(14-29)22(30)28-11-7-15(8-12-28)20-26-19-6-3-10-25-21(19)27-20/h1-6,10,15-16H,7-9,11-14H2,(H,25,26,27)
InChIKeyRJKWWMLKSQYNAD-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.48
Rot. Bonds3

About [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone

[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone (PubChem CID 134796094) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
PubChem CID134796094
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C23H24ClN5O2/c24-18-5-2-1-4-17(18)23(31)29-13-9-16(14-29)22(30)28-11-7-15(8-12-28)20-26-19-6-3-10-25-21(19)27-20/h1-6,10,15-16H,7-9,11-14H2,(H,25,26,27)
InChIKeyRJKWWMLKSQYNAD-UHFFFAOYSA-N
XLogP3.48
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone (CID 134796094) is [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1.
What is the InChIKey of [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone?
The InChIKey is RJKWWMLKSQYNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-18-5-2-1-4-17(18)23(31)29-13-9-16(14-29)22(30)28-11-7-15(8-12-28)20-26-19-6-3-10-25-21(19)27-20/h1-6,10,15-16H,7-9,11-14H2,(H,25,26,27).
What are the key properties of [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone?
[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone has a molecular weight of 437.93 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)pyrrolidin-3-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 134796094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).