2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C24H26ClN5O2 — CID 134797047

IUPAC2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C24H26ClN5O2/c25-19-4-1-3-16(13-19)14-21(31)30-12-8-18(15-30)24(32)29-10-6-17(7-11-29)22-27-20-5-2-9-26-23(20)28-22/h1-5,9,13,17-18H,6-8,10-12,14-15H2,(H,26,27,28)
InChIKeyBPUWRTSCDSGLIT-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.41
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 134797047) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID134797047
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C24H26ClN5O2/c25-19-4-1-3-16(13-19)14-21(31)30-12-8-18(15-30)24(32)29-10-6-17(7-11-29)22-27-20-5-2-9-26-23(20)28-22/h1-5,9,13,17-18H,6-8,10-12,14-15H2,(H,26,27,28)
InChIKeyBPUWRTSCDSGLIT-UHFFFAOYSA-N
XLogP3.41
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 134797047) is 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is BPUWRTSCDSGLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-19-4-1-3-16(13-19)14-21(31)30-12-8-18(15-30)24(32)29-10-6-17(7-11-29)22-27-20-5-2-9-26-23(20)28-22/h1-5,9,13,17-18H,6-8,10-12,14-15H2,(H,26,27,28).
What are the key properties of 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 451.96 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 134797047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).