2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C27H18ClN5O — CID 134307152

IUPAC2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(-c3ccnc(Cl)c3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C27H18ClN5O/c1-16-23(19-9-10-21-18(14-19)8-5-12-29-21)27(34)33-26(31-16)24(17-6-3-2-4-7-17)25(32-33)20-11-13-30-22(28)15-20/h2-15,32H,1H3
InChIKeyKDKZQHVXDNMLFW-UHFFFAOYSA-N
MW463.93 g/mol
LogP5.93
Rot. Bonds3

About 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307152) has the molecular formula C27H18ClN5O and a molecular weight of 463.93 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307152
Molecular FormulaC27H18ClN5O
Molecular Weight463.93 g/mol
Exact Mass463.12
IUPAC Name2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(-c3ccnc(Cl)c3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C27H18ClN5O/c1-16-23(19-9-10-21-18(14-19)8-5-12-29-21)27(34)33-26(31-16)24(17-6-3-2-4-7-17)25(32-33)20-11-13-30-22(28)15-20/h2-15,32H,1H3
InChIKeyKDKZQHVXDNMLFW-UHFFFAOYSA-N
XLogP5.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
3-cyclohexyl-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134308284
N'-[(E)-(2-chloro-8-methylquinolin-3-yl)methylidene]pyridine-4-carbohydrazide
CID 9633859
N'-(4-chlorobenzoyl)-6-quinolinecarbohydrazide
CID 2823309
2-(4-chlorophenyl)-N'-(2-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6873617
N-[(E)-(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9606942
2-(2-chlorophenyl)-N'-[(E)-pyridin-3-ylmethylidene]quinoline-4-carbohydrazide
CID 9714441
N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 24980955
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]quinoline-3-carboxamide
CID 44415559

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307152) is 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c(-c3ccnc(Cl)c3)[nH]n2c(=O)c1-c1ccc2ncccc2c1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KDKZQHVXDNMLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN5O/c1-16-23(19-9-10-21-18(14-19)8-5-12-29-21)27(34)33-26(31-16)24(17-6-3-2-4-7-17)25(32-33)20-11-13-30-22(28)15-20/h2-15,32H,1H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 463.93 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).