6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one

C22H23N7O2 — CID 126929993

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4nn(C)c5ccccc45)C3)n2)n1
InChIInChI=1S/C22H23N7O2/c1-14-10-15(2)29(23-14)19-8-9-20(30)28(24-19)13-16-11-27(12-16)22(31)21-17-6-4-5-7-18(17)26(3)25-21/h4-10,16H,11-13H2,1-3H3
InChIKeyWOSPBAVTXPFXLN-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.70
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126929993) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126929993
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4nn(C)c5ccccc45)C3)n2)n1
InChIInChI=1S/C22H23N7O2/c1-14-10-15(2)29(23-14)19-8-9-20(30)28(24-19)13-16-11-27(12-16)22(31)21-17-6-4-5-7-18(17)26(3)25-21/h4-10,16H,11-13H2,1-3H3
InChIKeyWOSPBAVTXPFXLN-UHFFFAOYSA-N
XLogP1.70
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(3,5-dimethylbenzoyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 134161447
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929967
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-fluorobenzoyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 134161457
2-[[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930261
2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928146
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930097
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930085
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930258
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930053
2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930049
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyridin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930018
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930177

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126929993) is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4nn(C)c5ccccc45)C3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is WOSPBAVTXPFXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-14-10-15(2)29(23-14)19-8-9-20(30)28(24-19)13-16-11-27(12-16)22(31)21-17-6-4-5-7-18(17)26(3)25-21/h4-10,16H,11-13H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 417.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1-methylindazole-3-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126929993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).