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

C26H26ClFN6O — CID 135975156

IUPAC6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3Cl)nn3c2NCC(CN(C)C)C3)ccc1=O
InChIInChI=1S/C26H26ClFN6O/c1-16-6-4-5-7-22(16)34-23(35)11-10-21(30-34)24-25(19-9-8-18(28)12-20(19)27)31-33-15-17(14-32(2)3)13-29-26(24)33/h4-12,17,29H,13-15H2,1-3H3
InChIKeyAFFATFHXRWSSHY-UHFFFAOYSA-N
MW492.99 g/mol
LogP4.47
Rot. Bonds5

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

6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one (PubChem CID 135975156) has the molecular formula C26H26ClFN6O and a molecular weight of 492.99 g/mol. Its IUPAC name is 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
PubChem CID135975156
Molecular FormulaC26H26ClFN6O
Molecular Weight492.99 g/mol
Exact Mass492.18
IUPAC Name6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3Cl)nn3c2NCC(CN(C)C)C3)ccc1=O
InChIInChI=1S/C26H26ClFN6O/c1-16-6-4-5-7-22(16)34-23(35)11-10-21(30-34)24-25(19-9-8-18(28)12-20(19)27)31-33-15-17(14-32(2)3)13-29-26(24)33/h4-12,17,29H,13-15H2,1-3H3
InChIKeyAFFATFHXRWSSHY-UHFFFAOYSA-N
XLogP4.47
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)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-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983718
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
6-[3-(4-Fluorophenyl)-1-methyl-5-(methylamino)pyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 69575038
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
6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975090
6-[(6S)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one
CID 135975142

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one (CID 135975156) is 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)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-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3Cl)nn3c2NCC(CN(C)C)C3)ccc1=O.
What is the InChIKey of 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?
The InChIKey is AFFATFHXRWSSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O/c1-16-6-4-5-7-22(16)34-23(35)11-10-21(30-34)24-25(19-9-8-18(28)12-20(19)27)31-33-15-17(14-32(2)3)13-29-26(24)33/h4-12,17,29H,13-15H2,1-3H3.
What are the key properties of 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one?
6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one has a molecular weight of 492.99 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-4-fluorophenyl)-6-[(dimethylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 135975156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).