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

C21H28N6O2 — CID 59669966

IUPAC[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1
InChIInChI=1S/C21H28N6O2/c1-14-19(15(2)29-24-14)21(28)27-7-6-17-18(12-27)22-13-23-20(17)26-10-8-25(9-11-26)16-4-3-5-16/h13,16H,3-12H2,1-2H3
InChIKeyAEJARJSRACBJCA-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.95
Rot. Bonds3

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

[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 59669966) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID59669966
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1
InChIInChI=1S/C21H28N6O2/c1-14-19(15(2)29-24-14)21(28)27-7-6-17-18(12-27)22-13-23-20(17)26-10-8-25(9-11-26)16-4-3-5-16/h13,16H,3-12H2,1-2H3
InChIKeyAEJARJSRACBJCA-UHFFFAOYSA-N
XLogP1.95
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 59669966) is [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCc2c(ncnc2N2CCN(C3CCC3)CC2)C1.
What is the InChIKey of [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is AEJARJSRACBJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14-19(15(2)29-24-14)21(28)27-7-6-17-18(12-27)22-13-23-20(17)26-10-8-25(9-11-26)16-4-3-5-16/h13,16H,3-12H2,1-2H3.
What are the key properties of [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 396.50 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 59669966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).