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

C23H36N6O2 — CID 57420693

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC1CN(c2ncc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)CC(C)O1
InChIInChI=1S/C23H36N6O2/c1-17-13-29(14-18(2)31-17)23-24-12-19-15-26(7-6-21(19)25-23)16-22(30)28-10-8-27(9-11-28)20-4-3-5-20/h12,17-18,20H,3-11,13-16H2,1-2H3
InChIKeyACNZYNOZIQPHTL-UHFFFAOYSA-N
MW428.58 g/mol
LogP1.14
Rot. Bonds4

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

1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 57420693) has the molecular formula C23H36N6O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID57420693
Molecular FormulaC23H36N6O2
Molecular Weight428.58 g/mol
Exact Mass428.29
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC1CN(c2ncc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)CC(C)O1
InChIInChI=1S/C23H36N6O2/c1-17-13-29(14-18(2)31-17)23-24-12-19-15-26(7-6-21(19)25-23)16-22(30)28-10-8-27(9-11-28)20-4-3-5-20/h12,17-18,20H,3-11,13-16H2,1-2H3
InChIKeyACNZYNOZIQPHTL-UHFFFAOYSA-N
XLogP1.14
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 57420693) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC1CN(c2ncc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)CC(C)O1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is ACNZYNOZIQPHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O2/c1-17-13-29(14-18(2)31-17)23-24-12-19-15-26(7-6-21(19)25-23)16-22(30)28-10-8-27(9-11-28)20-4-3-5-20/h12,17-18,20H,3-11,13-16H2,1-2H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 428.58 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(2,6-dimethylmorpholin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 57420693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).