[(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

C21H21FN4O — CID 95818289

IUPAC[(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1
InChIInChI=1S/C21H21FN4O/c1-14-18(13-23-25-14)21(27)26-10-4-9-20(26)19-8-3-7-17(24-19)12-15-5-2-6-16(22)11-15/h2-3,5-8,11,13,20H,4,9-10,12H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyPZARSMJXSGLMHM-FQEVSTJZSA-N
MW364.42 g/mol
LogP3.82
Rot. Bonds4

About [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

[(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 95818289) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID95818289
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name[(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1
InChIInChI=1S/C21H21FN4O/c1-14-18(13-23-25-14)21(27)26-10-4-9-20(26)19-8-3-7-17(24-19)12-15-5-2-6-16(22)11-15/h2-3,5-8,11,13,20H,4,9-10,12H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyPZARSMJXSGLMHM-FQEVSTJZSA-N
XLogP3.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110254646
1-[(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95818210
[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110254532
[2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 110094589
[(2R)-2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 92618144
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92615648
(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95818112
N-[[6-[(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839567
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
pyridin-4-yl-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110254529

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (CID 95818289) is [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1.
What is the InChIKey of [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is PZARSMJXSGLMHM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14-18(13-23-25-14)21(27)26-10-4-9-20(26)19-8-3-7-17(24-19)12-15-5-2-6-16(22)11-15/h2-3,5-8,11,13,20H,4,9-10,12H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
[(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 364.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 95818289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).