2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C24H26ClN5O2 — CID 134800367

IUPAC2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC(C(=O)N2CCCC2c2nc3ccncc3[nH]2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-18-4-1-3-16(13-18)14-22(31)29-11-7-17(8-12-29)24(32)30-10-2-5-21(30)23-27-19-6-9-26-15-20(19)28-23/h1,3-4,6,9,13,15,17,21H,2,5,7-8,10-12,14H2,(H,27,28)
InChIKeyILROJNCDYWYUAX-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 134800367) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID134800367
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC(C(=O)N2CCCC2c2nc3ccncc3[nH]2)CC1
InChIInChI=1S/C24H26ClN5O2/c25-18-4-1-3-16(13-18)14-22(31)29-11-7-17(8-12-29)24(32)30-10-2-5-21(30)23-27-19-6-9-26-15-20(19)28-23/h1,3-4,6,9,13,15,17,21H,2,5,7-8,10-12,14H2,(H,27,28)
InChIKeyILROJNCDYWYUAX-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 134800367) is 2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCC(C(=O)N2CCCC2c2nc3ccncc3[nH]2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ILROJNCDYWYUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-18-4-1-3-16(13-18)14-22(31)29-11-7-17(8-12-29)24(32)30-10-2-5-21(30)23-27-19-6-9-26-15-20(19)28-23/h1,3-4,6,9,13,15,17,21H,2,5,7-8,10-12,14H2,(H,27,28).
What are the key properties of 2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 451.96 g/mol, XLogP of 3.76, 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-[4-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134800367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).