3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one

C19H22N6O2 — CID 126934890

IUPAC3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccc(=O)n(C2CCC(Nc3nc4cnccc4c(=O)n3C)CC2)n1
InChIInChI=1S/C19H22N6O2/c1-12-3-8-17(26)25(23-12)14-6-4-13(5-7-14)21-19-22-16-11-20-10-9-15(16)18(27)24(19)2/h3,8-11,13-14H,4-7H2,1-2H3,(H,21,22)
InChIKeyCGRZXFYZJLNJPZ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one

3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 126934890) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one
PubChem CID126934890
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccc(=O)n(C2CCC(Nc3nc4cnccc4c(=O)n3C)CC2)n1
InChIInChI=1S/C19H22N6O2/c1-12-3-8-17(26)25(23-12)14-6-4-13(5-7-14)21-19-22-16-11-20-10-9-15(16)18(27)24(19)2/h3,8-11,13-14H,4-7H2,1-2H3,(H,21,22)
InChIKeyCGRZXFYZJLNJPZ-UHFFFAOYSA-N
XLogP1.79
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one
CID 126934525
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936839
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126935236
6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934706
2-[4-[(1,5-dimethyl-4-oxopyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936177
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934861
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one
CID 126934688
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934708
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126934572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one (CID 126934890) is 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one is Cc1ccc(=O)n(C2CCC(Nc3nc4cnccc4c(=O)n3C)CC2)n1.
What is the InChIKey of 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CGRZXFYZJLNJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-3-8-17(26)25(23-12)14-6-4-13(5-7-14)21-19-22-16-11-20-10-9-15(16)18(27)24(19)2/h3,8-11,13-14H,4-7H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one?
3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 366.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126934890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).