(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H18ClN5O — CID 135940637

IUPAC(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(C)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1
InChIInChI=1S/C19H18ClN5O/c1-10-4-5-11(2)13(8-10)14-9-17(26)21-19-18(14)12(3)24-25(19)16-7-6-15(20)22-23-16/h4-8,14H,9H2,1-3H3,(H,21,26)/t14-/m1/s1
InChIKeyRSSUTFODYDEEKL-CQSZACIVSA-N
MW367.84 g/mol
LogP3.72
Rot. Bonds2

About (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135940637) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135940637
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(C)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1
InChIInChI=1S/C19H18ClN5O/c1-10-4-5-11(2)13(8-10)14-9-17(26)21-19-18(14)12(3)24-25(19)16-7-6-15(20)22-23-16/h4-8,14H,9H2,1-3H3,(H,21,26)/t14-/m1/s1
InChIKeyRSSUTFODYDEEKL-CQSZACIVSA-N
XLogP3.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyridazin-3-yl)-3-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655054
4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654699
(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953421
(4R)-1-(6-chloropyridazin-3-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878821
4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655055
1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655040
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-[2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135940965
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135882917
(4S)-1-(6-chloropyridazin-3-yl)-4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135930844
(4S)-4-(3-bromo-4-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953656
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135930877
(4R)-1-(6-chloropyridazin-3-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878765

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135940637) is (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(C)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1.
What is the InChIKey of (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RSSUTFODYDEEKL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-10-4-5-11(2)13(8-10)14-9-17(26)21-19-18(14)12(3)24-25(19)16-7-6-15(20)22-23-16/h4-8,14H,9H2,1-3H3,(H,21,26)/t14-/m1/s1.
What are the key properties of (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 367.84 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135940637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).