6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C24H22N6O3 — CID 91894557

IUPAC6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCOc1ccc(-c2cc(C(=O)N3CCc4nn(Cc5cccnc5)c(=O)cc4C3)[nH]n2)cc1
InChIInChI=1S/C24H22N6O3/c1-33-19-6-4-17(5-7-19)21-12-22(27-26-21)24(32)29-10-8-20-18(15-29)11-23(31)30(28-20)14-16-3-2-9-25-13-16/h2-7,9,11-13H,8,10,14-15H2,1H3,(H,26,27)
InChIKeyLRXRSHUMWYMJOJ-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.28
Rot. Bonds5

About 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 91894557) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID91894557
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCOc1ccc(-c2cc(C(=O)N3CCc4nn(Cc5cccnc5)c(=O)cc4C3)[nH]n2)cc1
InChIInChI=1S/C24H22N6O3/c1-33-19-6-4-17(5-7-19)21-12-22(27-26-21)24(32)29-10-8-20-18(15-29)11-23(31)30(28-20)14-16-3-2-9-25-13-16/h2-7,9,11-13H,8,10,14-15H2,1H3,(H,26,27)
InChIKeyLRXRSHUMWYMJOJ-UHFFFAOYSA-N
XLogP2.28
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(dimethylamino)benzoyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894565
2-(4-methoxyphenyl)-1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 53087835
6-(cyclopropylmethoxy)-4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
CID 45159486
(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087828
2-(3-methoxyphenyl)-1-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 53087750
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910976
[4-(cyclopentylmethyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70780803
2-benzyl-6-(furan-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894536
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
CID 119060791
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 91894557) is 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is COc1ccc(-c2cc(C(=O)N3CCc4nn(Cc5cccnc5)c(=O)cc4C3)[nH]n2)cc1.
What is the InChIKey of 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is LRXRSHUMWYMJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-33-19-6-4-17(5-7-19)21-12-22(27-26-21)24(32)29-10-8-20-18(15-29)11-23(31)30(28-20)14-16-3-2-9-25-13-16/h2-7,9,11-13H,8,10,14-15H2,1H3,(H,26,27).
What are the key properties of 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 442.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 91894557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).