6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one

C29H32FN7O — CID 135523986

IUPAC6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CN2CCN(C)CC2)C3)ccc1=O
InChIInChI=1S/C29H32FN7O/c1-20-5-3-4-6-25(20)37-26(38)12-11-24(32-37)27-28(22-7-9-23(30)10-8-22)33-36-19-21(17-31-29(27)36)18-35-15-13-34(2)14-16-35/h3-12,21,31H,13-19H2,1-2H3
InChIKeyNXGJJGDJORGQRV-UHFFFAOYSA-N
MW513.62 g/mol
LogP3.50
Rot. Bonds5

About 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one

6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one (PubChem CID 135523986) has the molecular formula C29H32FN7O and a molecular weight of 513.62 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
PubChem CID135523986
Molecular FormulaC29H32FN7O
Molecular Weight513.62 g/mol
Exact Mass513.27
IUPAC Name6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CN2CCN(C)CC2)C3)ccc1=O
InChIInChI=1S/C29H32FN7O/c1-20-5-3-4-6-25(20)37-26(38)12-11-24(32-37)27-28(22-7-9-23(30)10-8-22)33-36-19-21(17-31-29(27)36)18-35-15-13-34(2)14-16-35/h3-12,21,31H,13-19H2,1-2H3
InChIKeyNXGJJGDJORGQRV-UHFFFAOYSA-N
XLogP3.50
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one with MolForge

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Related Compounds

6-[(5S)-2-(4-fluorophenyl)-5-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-(2-methylphenyl)pyridazin-3(2H)-one
CID 135523996
6-[(5R)-2-(4-fluorophenyl)-5-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135523997
6-[(6R)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975103
AS1940477
CID 136173253
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
2-(4-Methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983740
6-[(6S)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226813
6-[3-(4-Fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 51031046
4-tert-butyl-N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]benzamide
CID 58540029
6-[3-(4-Fluorophenyl)-1-methyl-5-(methylamino)pyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 69575038
2-(4-(6-(4-(6-fluoroindolin-1-yl)piperidin-1-yl)pyridazin-3-yl)-1H-pyrazol-1-yl)-N-methylacetamide
CID 76325611
6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975090

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one (CID 135523986) is 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CN2CCN(C)CC2)C3)ccc1=O.
What is the InChIKey of 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?
The InChIKey is NXGJJGDJORGQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O/c1-20-5-3-4-6-25(20)37-26(38)12-11-24(32-37)27-28(22-7-9-23(30)10-8-22)33-36-19-21(17-31-29(27)36)18-35-15-13-34(2)14-16-35/h3-12,21,31H,13-19H2,1-2H3.
What are the key properties of 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?
6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one has a molecular weight of 513.62 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-6-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 135523986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).