[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C17H18N6O — CID 124940543

IUPAC[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCc1cnc([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)[nH]1
InChIInChI=1S/C17H18N6O/c1-11-9-19-16(20-11)15-5-3-7-23(15)17(24)14-8-13(21-22-14)12-4-2-6-18-10-12/h2,4,6,8-10,15H,3,5,7H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyAGZQONWEFJHEEQ-HNNXBMFYSA-N
MW322.37 g/mol
LogP2.48
Rot. Bonds3

About [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 124940543) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID124940543
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCc1cnc([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)[nH]1
InChIInChI=1S/C17H18N6O/c1-11-9-19-16(20-11)15-5-3-7-23(15)17(24)14-8-13(21-22-14)12-4-2-6-18-10-12/h2,4,6,8-10,15H,3,5,7H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyAGZQONWEFJHEEQ-HNNXBMFYSA-N
XLogP2.48
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 91820880
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 110105873
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124998935
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 125018773
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 124946755
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124949823
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 97105096
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 124874532
1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124976475
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74239837

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 124940543) is [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is Cc1cnc([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)[nH]1.
What is the InChIKey of [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is AGZQONWEFJHEEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11-9-19-16(20-11)15-5-3-7-23(15)17(24)14-8-13(21-22-14)12-4-2-6-18-10-12/h2,4,6,8-10,15H,3,5,7H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 124940543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).