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

C21H23FN4O — CID 158353225

IUPAC5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3cnc(CC4(C)CC4)cc3F)cn2)ccc1=O
InChIInChI=1S/C21H23FN4O/c1-3-8-25-14-17(4-5-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2)6-7-21/h4-5,9,11-14H,3,6-8,10H2,1-2H3
InChIKeyNHLCUWVNBOLNBH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.99
Rot. Bonds6

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

5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 158353225) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID158353225
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3cnc(CC4(C)CC4)cc3F)cn2)ccc1=O
InChIInChI=1S/C21H23FN4O/c1-3-8-25-14-17(4-5-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2)6-7-21/h4-5,9,11-14H,3,6-8,10H2,1-2H3
InChIKeyNHLCUWVNBOLNBH-UHFFFAOYSA-N
XLogP3.99
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

FR-194921
CID 9821511
4-[3-(4-Fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridine
CID 22037373
1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanone
CID 22262550
1-(4-fluoro-3-methylphenyl)-9-(1-methyl-1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350918
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
CID 125487493
(E)-N-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide
CID 126568404
CDK8-IN-4k
CID 126568413
(E)-N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide
CID 126568827
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009
6-(3-Fluorophenyl)-2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]pyridazin-3-one
CID 168271869
6-(4-Fluorophenyl)-2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]pyridazin-3-one
CID 168278296
6-(2-Fluorophenyl)-2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]pyridazin-3-one
CID 168283386

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 158353225) is 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3cnc(CC4(C)CC4)cc3F)cn2)ccc1=O.
What is the InChIKey of 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is NHLCUWVNBOLNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-3-8-25-14-17(4-5-20(25)27)26-13-15(11-24-26)18-12-23-16(9-19(18)22)10-21(2)6-7-21/h4-5,9,11-14H,3,6-8,10H2,1-2H3.
What are the key properties of 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 366.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-fluoro-6-[(1-methylcyclopropyl)methyl]-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 158353225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).