1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one

C24H18ClFN4O — CID 158095517

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one
SMILESCn1cc(C2=NCc3ccc(-c4ccn(Cc5ccc(F)c(Cl)c5)c(=O)c4)cc32)cn1
InChIInChI=1S/C24H18ClFN4O/c1-29-14-19(12-28-29)24-20-9-16(3-4-18(20)11-27-24)17-6-7-30(23(31)10-17)13-15-2-5-22(26)21(25)8-15/h2-10,12,14H,11,13H2,1H3
InChIKeyFOPQJJXBUXDBJW-UHFFFAOYSA-N
MW432.89 g/mol
LogP4.44
Rot. Bonds4

About 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one

1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one (PubChem CID 158095517) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one
PubChem CID158095517
Molecular FormulaC24H18ClFN4O
Molecular Weight432.89 g/mol
Exact Mass432.12
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one
SMILESCn1cc(C2=NCc3ccc(-c4ccn(Cc5ccc(F)c(Cl)c5)c(=O)c4)cc32)cn1
InChIInChI=1S/C24H18ClFN4O/c1-29-14-19(12-28-29)24-20-9-16(3-4-18(20)11-27-24)17-6-7-30(23(31)10-17)13-15-2-5-22(26)21(25)8-15/h2-10,12,14H,11,13H2,1H3
InChIKeyFOPQJJXBUXDBJW-UHFFFAOYSA-N
XLogP4.44
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]pyridin-2-one
CID 158687488
1-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one
CID 158889981
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one
CID 158547244
4-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-1-[(2-methyl-4-pyridinyl)methyl]pyridin-2-one
CID 158837194
4-[3-(4-fluorophenyl)-1H-isoindol-5-yl]-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyridin-2-one
CID 157195092
3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157423852
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157070683
1-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 103041458
1-[(3-chloro-4-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158548426
1-[(3-chloro-4-methylphenyl)methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 170021201
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
acetamide;6-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one (CID 158095517) is 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one is Cn1cc(C2=NCc3ccc(-c4ccn(Cc5ccc(F)c(Cl)c5)c(=O)c4)cc32)cn1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one?
The InChIKey is FOPQJJXBUXDBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c1-29-14-19(12-28-29)24-20-9-16(3-4-18(20)11-27-24)17-6-7-30(23(31)10-17)13-15-2-5-22(26)21(25)8-15/h2-10,12,14H,11,13H2,1H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one?
1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one has a molecular weight of 432.89 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(1-methylpyrazol-4-yl)-1H-isoindol-5-yl]pyridin-2-one is sourced from PubChem (CID 158095517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).