3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C28H26N4O — CID 134308284

IUPAC3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C28H26N4O/c1-18-24(22-14-15-23-21(17-22)13-8-16-29-23)28(33)32-27(30-18)25(19-9-4-2-5-10-19)26(31-32)20-11-6-3-7-12-20/h3,6-8,11-17,19,31H,2,4-5,9-10H2,1H3
InChIKeyHWWJMGRRSXJDQD-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.26
Rot. Bonds3

About 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134308284) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134308284
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C28H26N4O/c1-18-24(22-14-15-23-21(17-22)13-8-16-29-23)28(33)32-27(30-18)25(19-9-4-2-5-10-19)26(31-32)20-11-6-3-7-12-20/h3,6-8,11-17,19,31H,2,4-5,9-10H2,1H3
InChIKeyHWWJMGRRSXJDQD-UHFFFAOYSA-N
XLogP6.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
CID 135567454
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
N-[[4-(dimethylamino)benzylidene]amino]quinoline-3-carboxamide
CID 5771657
3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307220
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307251
5-methyl-2,3-diphenyl-6-(quinolin-6-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307474
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307487
4,5-Dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 134347340
N-[(E)-(3-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9660732
3-[4-(Dimethylamino)phenyl]-6-quinolin-4-ylquinazolin-4-one
CID 145982726
2-benzyl-5-methyl-6-quinolin-4-yl-3H-quinazolin-4-one
CID 145982904
2-methyl-6-quinolin-5-yl-3H-quinazolin-4-one
CID 145983541

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134308284) is 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1.
What is the InChIKey of 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HWWJMGRRSXJDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-18-24(22-14-15-23-21(17-22)13-8-16-29-23)28(33)32-27(30-18)25(19-9-4-2-5-10-19)26(31-32)20-11-6-3-7-12-20/h3,6-8,11-17,19,31H,2,4-5,9-10H2,1H3.
What are the key properties of 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 434.54 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134308284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).