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

C27H25N5O — CID 134307251

IUPAC5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C27H25N5O/c1-18-23(21-12-13-22-20(17-21)11-8-14-28-22)27(33)32-26(29-18)25(31-15-6-3-7-16-31)24(30-32)19-9-4-2-5-10-19/h2,4-5,8-14,17,30H,3,6-7,15-16H2,1H3
InChIKeyOPYXROIJMBBGRK-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.20
Rot. Bonds3

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

5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307251) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307251
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C27H25N5O/c1-18-23(21-12-13-22-20(17-21)11-8-14-28-22)27(33)32-26(29-18)25(31-15-6-3-7-16-31)24(30-32)19-9-4-2-5-10-19/h2,4-5,8-14,17,30H,3,6-7,15-16H2,1H3
InChIKeyOPYXROIJMBBGRK-UHFFFAOYSA-N
XLogP5.20
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
CID 135567454
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7-trihydro-3h-cyclopenta[d]pyrimidin-4-one
CID 23155834
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
3-Methyl-~{n}-[2-(4-Methylpiperazin-1-Yl)-5-Quinolin-3-Yl-Phenyl]benzamide
CID 91995965
3-Amino-6-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 11374124
3-Amino-2-[4-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155650
3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-3Hquinazolin-4-one
CID 23155667
3-Amino-2-[4-[4-(3,4-dimethylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155840
3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155869
3-Amino-2-[4-[4-(3-methylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3h-quinazolin-4-one
CID 23155963
3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307220
5-methyl-2,3-diphenyl-6-(quinolin-6-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307474

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307251) is 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1.
What is the InChIKey of 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OPYXROIJMBBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-18-23(21-12-13-22-20(17-21)11-8-14-28-22)27(33)32-26(29-18)25(31-15-6-3-7-16-31)24(30-32)19-9-4-2-5-10-19/h2,4-5,8-14,17,30H,3,6-7,15-16H2,1H3.
What are the key properties of 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 435.53 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).