5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one

C19H16N4O — CID 118660707

IUPAC5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one
SMILESCc1ncc(-c2ccc(-c3cnn(C)c3)cc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C19H16N4O/c1-12-16-7-8-18(24)22-19(16)17(10-20-12)14-5-3-13(4-6-14)15-9-21-23(2)11-15/h3-11H,1-2H3,(H,22,24)
InChIKeyKENSDVCQUSEFDW-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.30
Rot. Bonds2

About 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one

5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one (PubChem CID 118660707) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one
PubChem CID118660707
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one
SMILESCc1ncc(-c2ccc(-c3cnn(C)c3)cc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C19H16N4O/c1-12-16-7-8-18(24)22-19(16)17(10-20-12)14-5-3-13(4-6-14)15-9-21-23(2)11-15/h3-11H,1-2H3,(H,22,24)
InChIKeyKENSDVCQUSEFDW-UHFFFAOYSA-N
XLogP3.30
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-1-methyl-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline
CID 118665751
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole
CID 155277374
3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
CID 168925716
[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-(azetidin-1-yl)methanone
CID 118660637
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
6-[4-(1-methylpyrazol-4-yl)phenyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 118197436
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
8-anilino-5-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
CID 66887497
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-1H-pyridazin-6-one
CID 50925217
7-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-imidazol-2-yl]heptanal
CID 130373774
1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-3-one
CID 118660770

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one (CID 118660707) is 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one is Cc1ncc(-c2ccc(-c3cnn(C)c3)cc2)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one?
The InChIKey is KENSDVCQUSEFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-16-7-8-18(24)22-19(16)17(10-20-12)14-5-3-13(4-6-14)15-9-21-23(2)11-15/h3-11H,1-2H3,(H,22,24).
What are the key properties of 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one?
5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 118660707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).