[1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

C21H21ClN6O2 — CID 134796415

IUPAC[1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCCC1C(=O)N1CCCC1c1nc2ccncc2[nH]1
InChIInChI=1S/C21H21ClN6O2/c22-18-6-5-13(11-24-18)20(29)28-10-2-4-17(28)21(30)27-9-1-3-16(27)19-25-14-7-8-23-12-15(14)26-19/h5-8,11-12,16-17H,1-4,9-10H2,(H,25,26)
InChIKeyYKYRWYIIVSCQLR-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.97
Rot. Bonds3

About [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

[1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 134796415) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID134796415
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC Name[1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCCC1C(=O)N1CCCC1c1nc2ccncc2[nH]1
InChIInChI=1S/C21H21ClN6O2/c22-18-6-5-13(11-24-18)20(29)28-10-2-4-17(28)21(30)27-9-1-3-16(27)19-25-14-7-8-23-12-15(14)26-19/h5-8,11-12,16-17H,1-4,9-10H2,(H,25,26)
InChIKeyYKYRWYIIVSCQLR-UHFFFAOYSA-N
XLogP2.97
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
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
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
(2R)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134800639
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]-N-phenylpyrrolidine-1-carboxamide
CID 134799475
benzyl (2S)-1-(6-chloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 95233599
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307
3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99849761

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 134796415) is [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)nc1)N1CCCC1C(=O)N1CCCC1c1nc2ccncc2[nH]1.
What is the InChIKey of [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YKYRWYIIVSCQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c22-18-6-5-13(11-24-18)20(29)28-10-2-4-17(28)21(30)27-9-1-3-16(27)19-25-14-7-8-23-12-15(14)26-19/h5-8,11-12,16-17H,1-4,9-10H2,(H,25,26).
What are the key properties of [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
[1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 424.89 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 134796415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).