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

C20H22N6O2 — CID 56915774

IUPAC1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)on1
InChIInChI=1S/C20H22N6O2/c1-13-10-15(28-24-13)11-18(27)26-9-6-16-17(12-26)22-19(23-20(16)25(2)3)14-4-7-21-8-5-14/h4-5,7-8,10H,6,9,11-12H2,1-3H3
InChIKeyPMNVIVUVEXXRKI-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.03
Rot. Bonds4

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

1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 56915774) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID56915774
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(CC(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)on1
InChIInChI=1S/C20H22N6O2/c1-13-10-15(28-24-13)11-18(27)26-9-6-16-17(12-26)22-19(23-20(16)25(2)3)14-4-7-21-8-5-14/h4-5,7-8,10H,6,9,11-12H2,1-3H3
InChIKeyPMNVIVUVEXXRKI-UHFFFAOYSA-N
XLogP2.03
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 56915774) is 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone is Cc1cc(CC(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)on1.
What is the InChIKey of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is PMNVIVUVEXXRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-10-15(28-24-13)11-18(27)26-9-6-16-17(12-26)22-19(23-20(16)25(2)3)14-4-7-21-8-5-14/h4-5,7-8,10H,6,9,11-12H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone?
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 378.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 56915774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).