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

C20H22N6O2 — CID 56885502

IUPAC[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)on1
InChIInChI=1S/C20H22N6O2/c1-4-14-11-17(28-24-14)20(27)26-10-7-15-16(12-26)22-18(23-19(15)25(2)3)13-5-8-21-9-6-13/h5-6,8-9,11H,4,7,10,12H2,1-3H3
InChIKeyTUKJCUUPIJVZRH-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.35
Rot. Bonds4

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

[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone (PubChem CID 56885502) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
PubChem CID56885502
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)on1
InChIInChI=1S/C20H22N6O2/c1-4-14-11-17(28-24-14)20(27)26-10-7-15-16(12-26)22-18(23-19(15)25(2)3)13-5-8-21-9-6-13/h5-6,8-9,11H,4,7,10,12H2,1-3H3
InChIKeyTUKJCUUPIJVZRH-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone (CID 56885502) is [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone is CCc1cc(C(=O)N2CCc3c(nc(-c4ccncc4)nc3N(C)C)C2)on1.
What is the InChIKey of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone?
The InChIKey is TUKJCUUPIJVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-4-14-11-17(28-24-14)20(27)26-10-7-15-16(12-26)22-18(23-19(15)25(2)3)13-5-8-21-9-6-13/h5-6,8-9,11H,4,7,10,12H2,1-3H3.
What are the key properties of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone?
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone has a molecular weight of 378.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 56885502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).