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

C20H24N6O2 — CID 126928072

IUPAC2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCn1c(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)nc2cnccc2c1=O
InChIInChI=1S/C20H24N6O2/c1-20(2,3)16-5-6-17(27)26(23-16)12-13-10-25(11-13)19-22-15-9-21-8-7-14(15)18(28)24(19)4/h5-9,13H,10-12H2,1-4H3
InChIKeyRNXPVJQBPOLZIW-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.32
Rot. Bonds3

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

2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 126928072) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID126928072
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCn1c(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)nc2cnccc2c1=O
InChIInChI=1S/C20H24N6O2/c1-20(2,3)16-5-6-17(27)26(23-16)12-13-10-25(11-13)19-22-15-9-21-8-7-14(15)18(28)24(19)4/h5-9,13H,10-12H2,1-4H3
InChIKeyRNXPVJQBPOLZIW-UHFFFAOYSA-N
XLogP1.32
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-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-[(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126928070
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
3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126945090
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
3-methyl-2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126925989
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927853
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927851
6-tert-butyl-2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126914326
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
6-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927727

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one (CID 126928072) is 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one is Cn1c(N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)nc2cnccc2c1=O.
What is the InChIKey of 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RNXPVJQBPOLZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-20(2,3)16-5-6-17(27)26(23-16)12-13-10-25(11-13)19-22-15-9-21-8-7-14(15)18(28)24(19)4/h5-9,13H,10-12H2,1-4H3.
What are the key properties of 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126928072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).