2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C22H26N6O — CID 126929915

IUPAC2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCn1nc2c(c1CN1CC(Cn3nc(-c4ccncc4)ccc3=O)C1)CCCC2
InChIInChI=1S/C22H26N6O/c1-26-21(18-4-2-3-5-20(18)24-26)15-27-12-16(13-27)14-28-22(29)7-6-19(25-28)17-8-10-23-11-9-17/h6-11,16H,2-5,12-15H2,1H3
InChIKeyIRMYYYSVDOYZKL-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.05
Rot. Bonds5

About 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126929915) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126929915
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCn1nc2c(c1CN1CC(Cn3nc(-c4ccncc4)ccc3=O)C1)CCCC2
InChIInChI=1S/C22H26N6O/c1-26-21(18-4-2-3-5-20(18)24-26)15-27-12-16(13-27)14-28-22(29)7-6-19(25-28)17-8-10-23-11-9-17/h6-11,16H,2-5,12-15H2,1H3
InChIKeyIRMYYYSVDOYZKL-UHFFFAOYSA-N
XLogP2.05
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-4-yl-2-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929813
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930282
3-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942888
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767
6-cyclopropyl-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865563
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929839
2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929788
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929789
2-[[1-[2-(1-methylimidazol-2-yl)ethyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929797
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929722
2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126863375
2-[[1-(azepan-1-ylsulfonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929740

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126929915) is 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is Cn1nc2c(c1CN1CC(Cn3nc(-c4ccncc4)ccc3=O)C1)CCCC2.
What is the InChIKey of 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is IRMYYYSVDOYZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26-21(18-4-2-3-5-20(18)24-26)15-27-12-16(13-27)14-28-22(29)7-6-19(25-28)17-8-10-23-11-9-17/h6-11,16H,2-5,12-15H2,1H3.
What are the key properties of 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 390.49 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126929915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).