5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one

C17H14N4O — CID 25093327

IUPAC5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
SMILESCn1cc(-c2ccc3c(c2)CNC3=O)c(-c2ccncc2)n1
InChIInChI=1S/C17H14N4O/c1-21-10-15(16(20-21)11-4-6-18-7-5-11)12-2-3-14-13(8-12)9-19-17(14)22/h2-8,10H,9H2,1H3,(H,19,22)
InChIKeyFLQRRMNRUINMJD-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.39
Rot. Bonds2

About 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one

5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one (PubChem CID 25093327) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
PubChem CID25093327
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
SMILESCn1cc(-c2ccc3c(c2)CNC3=O)c(-c2ccncc2)n1
InChIInChI=1S/C17H14N4O/c1-21-10-15(16(20-21)11-4-6-18-7-5-11)12-2-3-14-13(8-12)9-19-17(14)22/h2-8,10H,9H2,1H3,(H,19,22)
InChIKeyFLQRRMNRUINMJD-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

OT-82
CID 118203189
(18F)MK-1312
CID 53316847
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CID 11175501
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,1'-cyclopentane]-6-yl)benzamide
CID 44250620
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(3-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769234
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(2-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769408
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(4-methylphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769470
N-methyl-4-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)isoquinoline-6-carboxamide
CID 118660909
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one (CID 25093327) is 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one is Cn1cc(-c2ccc3c(c2)CNC3=O)c(-c2ccncc2)n1.
What is the InChIKey of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is FLQRRMNRUINMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-21-10-15(16(20-21)11-4-6-18-7-5-11)12-2-3-14-13(8-12)9-19-17(14)22/h2-8,10H,9H2,1H3,(H,19,22).
What are the key properties of 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one?
5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 290.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 25093327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).