N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide

C23H25ClN6O2 — CID 134796934

IUPACN-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1
InChIInChI=1S/C23H25ClN6O2/c24-17-3-5-18(6-4-17)26-23(32)30-10-1-2-16(14-30)22(31)29-11-8-15(13-29)21-27-19-7-9-25-12-20(19)28-21/h3-7,9,12,15-16H,1-2,8,10-11,13-14H2,(H,26,32)(H,27,28)
InChIKeyPGQCBPQSJHYXSE-UHFFFAOYSA-N
MW452.95 g/mol
LogP3.87
Rot. Bonds3

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

N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 134796934) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID134796934
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC NameN-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1
InChIInChI=1S/C23H25ClN6O2/c24-17-3-5-18(6-4-17)26-23(32)30-10-1-2-16(14-30)22(31)29-11-8-15(13-29)21-27-19-7-9-25-12-20(19)28-21/h3-7,9,12,15-16H,1-2,8,10-11,13-14H2,(H,26,32)(H,27,28)
InChIKeyPGQCBPQSJHYXSE-UHFFFAOYSA-N
XLogP3.87
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 53.87
H-Bond Donors ≤ 52
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
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 134799871
methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 134796420
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134800639
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 1429871
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134799475
3-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carbothioamide
CID 3223996
4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide (CID 134796934) is N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is PGQCBPQSJHYXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c24-17-3-5-18(6-4-17)26-23(32)30-10-1-2-16(14-30)22(31)29-11-8-15(13-29)21-27-19-7-9-25-12-20(19)28-21/h3-7,9,12,15-16H,1-2,8,10-11,13-14H2,(H,26,32)(H,27,28).
What are the key properties of N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 134796934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).