1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

C19H28N6O — CID 56880587

IUPAC1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCc3c(nc(C)nc3N(C)C)C2)c1C
InChIInChI=1S/C19H28N6O/c1-7-15-12(2)22-25(13(15)3)11-18(26)24-9-8-16-17(10-24)20-14(4)21-19(16)23(5)6/h7-11H2,1-6H3
InChIKeyMMLXHDMARTUKJK-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.81
Rot. Bonds4

About 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 56880587) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID56880587
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCc3c(nc(C)nc3N(C)C)C2)c1C
InChIInChI=1S/C19H28N6O/c1-7-15-12(2)22-25(13(15)3)11-18(26)24-9-8-16-17(10-24)20-14(4)21-19(16)23(5)6/h7-11H2,1-6H3
InChIKeyMMLXHDMARTUKJK-UHFFFAOYSA-N
XLogP1.81
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone with MolForge

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Related Compounds

1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56884983
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethylimidazol-4-yl)methanone
CID 118762273
1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one
CID 42788543
1-[4-(dimethylamino)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-ethoxyethanone
CID 97413479
1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 54982396
1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 56879087
1-[3-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 56869932
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 118780550
N-[(2R)-1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 95477022
2-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]thiophene-3-sulfonamide
CID 56917443
1-[2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]pyridin-2-one
CID 118793652
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propylsulfanylethanone
CID 56865271

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone (CID 56880587) is 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone is CCc1c(C)nn(CC(=O)N2CCc3c(nc(C)nc3N(C)C)C2)c1C.
What is the InChIKey of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is MMLXHDMARTUKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-7-15-12(2)22-25(13(15)3)11-18(26)24-9-8-16-17(10-24)20-14(4)21-19(16)23(5)6/h7-11H2,1-6H3.
What are the key properties of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone?
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 56880587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).