1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one

C19H18N4O — CID 4970148

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1cc(C)nc(-n2ncc3c2CC(c2ccccc2)CC3=O)n1
InChIInChI=1S/C19H18N4O/c1-12-8-13(2)22-19(21-12)23-17-9-15(14-6-4-3-5-7-14)10-18(24)16(17)11-20-23/h3-8,11,15H,9-10H2,1-2H3
InChIKeyCCPJBZDKPNEUSG-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.19
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one

1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 4970148) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID4970148
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1cc(C)nc(-n2ncc3c2CC(c2ccccc2)CC3=O)n1
InChIInChI=1S/C19H18N4O/c1-12-8-13(2)22-19(21-12)23-17-9-15(14-6-4-3-5-7-14)10-18(24)16(17)11-20-23/h3-8,11,15H,9-10H2,1-2H3
InChIKeyCCPJBZDKPNEUSG-UHFFFAOYSA-N
XLogP3.19
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
1-(7-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 641891
1-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 1964183
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4892660
1-(4,6-dimethylpyrimidin-2-yl)-6-(3-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 16457556
6-(3-chlorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 3939580
8-[(2-acetylphenyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46886957
8-[(2-Carbamoylphenyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46887102
1-Methyl-8-{[2-(phenylcarbonyl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46887139
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-fluorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 3159876
2-methyl-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 666897
1-[7-Methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 684290

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one (CID 4970148) is 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one is Cc1cc(C)nc(-n2ncc3c2CC(c2ccccc2)CC3=O)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is CCPJBZDKPNEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-8-13(2)22-19(21-12)23-17-9-15(14-6-4-3-5-7-14)10-18(24)16(17)11-20-23/h3-8,11,15H,9-10H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one?
1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 318.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 4970148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).