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

C22H29N5O2 — CID 134798256

IUPACcyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1
InChIInChI=1S/C22H29N5O2/c28-21(15-4-1-2-5-15)26-10-3-6-17(14-26)22(29)27-11-8-16(13-27)20-24-18-7-9-23-12-19(18)25-20/h7,9,12,15-17H,1-6,8,10-11,13-14H2,(H,24,25)
InChIKeyRWNRBEHCHKGDJO-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.70
Rot. Bonds3

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

cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 134798256) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID134798256
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Namecyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1
InChIInChI=1S/C22H29N5O2/c28-21(15-4-1-2-5-15)26-10-3-6-17(14-26)22(29)27-11-8-16(13-27)20-24-18-7-9-23-12-19(18)25-20/h7,9,12,15-17H,1-6,8,10-11,13-14H2,(H,24,25)
InChIKeyRWNRBEHCHKGDJO-UHFFFAOYSA-N
XLogP2.70
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 134799871
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 134796420
3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 134798379
1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134795190
(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134800639
cyclopropyl-[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137017
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134799475
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55576245
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (CID 134798256) is cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCCC(C(=O)N2CCC(c3nc4ccncc4[nH]3)C2)C1.
What is the InChIKey of cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is RWNRBEHCHKGDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21(15-4-1-2-5-15)26-10-3-6-17(14-26)22(29)27-11-8-16(13-27)20-24-18-7-9-23-12-19(18)25-20/h7,9,12,15-17H,1-6,8,10-11,13-14H2,(H,24,25).
What are the key properties of cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 134798256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).