6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one

C19H22N6O — CID 126928070

IUPAC6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(c3ncnc4cnccc34)C2)n1
InChIInChI=1S/C19H22N6O/c1-19(2,3)16-4-5-17(26)25(23-16)11-13-9-24(10-13)18-14-6-7-20-8-15(14)21-12-22-18/h4-8,12-13H,9-11H2,1-3H3
InChIKeyXPEMOTDDIPXJQE-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.02
Rot. Bonds3

About 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one

6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one (PubChem CID 126928070) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
PubChem CID126928070
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(c3ncnc4cnccc34)C2)n1
InChIInChI=1S/C19H22N6O/c1-19(2,3)16-4-5-17(26)25(23-16)11-13-9-24(10-13)18-14-6-7-20-8-15(14)21-12-22-18/h4-8,12-13H,9-11H2,1-3H3
InChIKeyXPEMOTDDIPXJQE-UHFFFAOYSA-N
XLogP2.02
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one with MolForge

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Related Compounds

6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928071
6-tert-butyl-2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126914326
2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126928072
6-tert-butyl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927995
6-tert-butyl-2-[[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927984
6-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927727
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
5-pyrido[3,4-d]pyrimidin-4-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166602383
6-tert-butyl-2-[[1-(2-hydroxycyclohexyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928030
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one (CID 126928070) is 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(c3ncnc4cnccc34)C2)n1.
What is the InChIKey of 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The InChIKey is XPEMOTDDIPXJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-19(2,3)16-4-5-17(26)25(23-16)11-13-9-24(10-13)18-14-6-7-20-8-15(14)21-12-22-18/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one has a molecular weight of 350.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126928070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).