[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone

C22H19FN4O — CID 178095115

IUPAC[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
SMILESO=C(c1c[nH]c2cc(-c3cn[nH]c3)ccc12)N1CCCC1c1ccccc1F
InChIInChI=1S/C22H19FN4O/c23-19-5-2-1-4-17(19)21-6-3-9-27(21)22(28)18-13-24-20-10-14(7-8-16(18)20)15-11-25-26-12-15/h1-2,4-5,7-8,10-13,21,24H,3,6,9H2,(H,25,26)
InChIKeyZHQHMBFOIZRJQS-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.67
Rot. Bonds3

About [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone

[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone (PubChem CID 178095115) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
PubChem CID178095115
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
SMILESO=C(c1c[nH]c2cc(-c3cn[nH]c3)ccc12)N1CCCC1c1ccccc1F
InChIInChI=1S/C22H19FN4O/c23-19-5-2-1-4-17(19)21-6-3-9-27(21)22(28)18-13-24-20-10-14(7-8-16(18)20)15-11-25-26-12-15/h1-2,4-5,7-8,10-13,21,24H,3,6,9H2,(H,25,26)
InChIKeyZHQHMBFOIZRJQS-UHFFFAOYSA-N
XLogP4.67
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 178095009
[(3S)-3-phenylmorpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
CID 178095206
(3-phenylpyrrolidin-1-yl)-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 117078074
6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 95867221
[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-(1-piperidin-4-yl-1,3-dihydroisoindol-2-yl)methanone
CID 175941057
[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
CID 31005506
[3-(2-fluorophenyl)pyrrolidin-1-yl]-[2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone
CID 45207147
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51548435
[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 167484817
[(2R)-2-phenylazetidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095072

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone?
The IUPAC name of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone (CID 178095115) is [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone.
What is the SMILES notation for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone?
The canonical SMILES for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone is O=C(c1c[nH]c2cc(-c3cn[nH]c3)ccc12)N1CCCC1c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone?
The InChIKey is ZHQHMBFOIZRJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-19-5-2-1-4-17(19)21-6-3-9-27(21)22(28)18-13-24-20-10-14(7-8-16(18)20)15-11-25-26-12-15/h1-2,4-5,7-8,10-13,21,24H,3,6,9H2,(H,25,26).
What are the key properties of [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone?
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone has a molecular weight of 374.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone is sourced from PubChem (CID 178095115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).