2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

C21H22N6O — CID 126929388

IUPAC2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1cc(N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)nc(C2CC2)n1
InChIInChI=1S/C21H22N6O/c1-14-9-19(24-21(23-14)16-4-5-16)26-11-15(12-26)13-27-20(28)7-6-18(25-27)17-3-2-8-22-10-17/h2-3,6-10,15-16H,4-5,11-13H2,1H3
InChIKeyPBBUWMGHZJACGK-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.42
Rot. Bonds5

About 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126929388) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126929388
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1cc(N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)nc(C2CC2)n1
InChIInChI=1S/C21H22N6O/c1-14-9-19(24-21(23-14)16-4-5-16)26-11-15(12-26)13-27-20(28)7-6-18(25-27)17-3-2-8-22-10-17/h2-3,6-10,15-16H,4-5,11-13H2,1H3
InChIKeyPBBUWMGHZJACGK-UHFFFAOYSA-N
XLogP2.42
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341
6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927797
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928240
3-methyl-2-[3-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126929579
2-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929413
2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929464
2-[[1-[(1-acetylpyrrolidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929481
2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925916
2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929278
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925964
2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925926
2-[[1-(cyclohex-3-ene-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929267

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (CID 126929388) is 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is Cc1cc(N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)nc(C2CC2)n1.
What is the InChIKey of 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is PBBUWMGHZJACGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-9-19(24-21(23-14)16-4-5-16)26-11-15(12-26)13-27-20(28)7-6-18(25-27)17-3-2-8-22-10-17/h2-3,6-10,15-16H,4-5,11-13H2,1H3.
What are the key properties of 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 374.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126929388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).