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

C23H24ClN5O2 — CID 134799871

IUPAC[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1
InChIInChI=1S/C23H24ClN5O2/c24-18-6-2-1-5-17(18)23(31)28-10-3-4-16(14-28)22(30)29-11-8-15(13-29)21-26-19-7-9-25-12-20(19)27-21/h1-2,5-7,9,12,15-16H,3-4,8,10-11,13-14H2,(H,26,27)
InChIKeyTUNBBBJBEKRKIL-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.48
Rot. Bonds3

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

[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 134799871) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID134799871
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1
InChIInChI=1S/C23H24ClN5O2/c24-18-6-2-1-5-17(18)23(31)28-10-3-4-16(14-28)22(30)29-11-8-15(13-29)21-26-19-7-9-25-12-20(19)27-21/h1-2,5-7,9,12,15-16H,3-4,8,10-11,13-14H2,(H,26,27)
InChIKeyTUNBBBJBEKRKIL-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

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Related Compounds

cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 134798256
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 134796934
methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 134796420
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 46692235
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134800639
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 134798379

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 134799871) is [1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is TUNBBBJBEKRKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-18-6-2-1-5-17(18)23(31)28-10-3-4-16(14-28)22(30)29-11-8-15(13-29)21-26-19-7-9-25-12-20(19)27-21/h1-2,5-7,9,12,15-16H,3-4,8,10-11,13-14H2,(H,26,27).
What are the key properties of [1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-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)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 134799871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).