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

C20H24N6O — CID 126928071

IUPAC6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1nc(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)c2ccncc2n1
InChIInChI=1S/C20H24N6O/c1-13-22-16-9-21-8-7-15(16)19(23-13)25-10-14(11-25)12-26-18(27)6-5-17(24-26)20(2,3)4/h5-9,14H,10-12H2,1-4H3
InChIKeyMQEYKQVZRDQTLV-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.32
Rot. Bonds3

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

6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126928071) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126928071
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1nc(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)c2ccncc2n1
InChIInChI=1S/C20H24N6O/c1-13-22-16-9-21-8-7-15(16)19(23-13)25-10-14(11-25)12-26-18(27)6-5-17(24-26)20(2,3)4/h5-9,14H,10-12H2,1-4H3
InChIKeyMQEYKQVZRDQTLV-UHFFFAOYSA-N
XLogP2.32
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-tert-butyl-2-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126928070
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-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126914326
6-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927727
6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927797
4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 126910867
3-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943782
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-(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-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126928071) is 6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1nc(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)c2ccncc2n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is MQEYKQVZRDQTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-22-16-9-21-8-7-15(16)19(23-13)25-10-14(11-25)12-26-18(27)6-5-17(24-26)20(2,3)4/h5-9,14H,10-12H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 364.45 g/mol, XLogP of 2.32, 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-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126928071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).