5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

C22H25FN4O — CID 157196215

IUPAC5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2ccc(-c3cnc(CC4CCCC4)cc3F)n2)ccc1=O
InChIInChI=1S/C22H25FN4O/c1-2-10-26-15-18(7-8-22(26)28)27-11-9-21(25-27)19-14-24-17(13-20(19)23)12-16-5-3-4-6-16/h7-9,11,13-16H,2-6,10,12H2,1H3
InChIKeyVVIIVRBTPCONFO-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.38
Rot. Bonds6

About 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 157196215) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID157196215
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2ccc(-c3cnc(CC4CCCC4)cc3F)n2)ccc1=O
InChIInChI=1S/C22H25FN4O/c1-2-10-26-15-18(7-8-22(26)28)27-11-9-21(25-27)19-14-24-17(13-20(19)23)12-16-5-3-4-6-16/h7-9,11,13-16H,2-6,10,12H2,1H3
InChIKeyVVIIVRBTPCONFO-UHFFFAOYSA-N
XLogP4.38
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

FR-194921
CID 9821511
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N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
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1-[(3-Fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
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3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
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4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
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1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanone
CID 22262550
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(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
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(E)-N-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide
CID 126568404
(E)-N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide
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[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 157196215) is 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2ccc(-c3cnc(CC4CCCC4)cc3F)n2)ccc1=O.
What is the InChIKey of 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is VVIIVRBTPCONFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-2-10-26-15-18(7-8-22(26)28)27-11-9-21(25-27)19-14-24-17(13-20(19)23)12-16-5-3-4-6-16/h7-9,11,13-16H,2-6,10,12H2,1H3.
What are the key properties of 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 380.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 157196215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).