2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H31N5O2 — CID 59670560

IUPAC2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cc2c(cc1CN1CCc3nc(N4CCN(C5CCC5)CC4)ncc3C1)OCCO2
InChIInChI=1S/C24H31N5O2/c1-2-20(3-1)28-8-10-29(11-9-28)24-25-15-19-17-27(7-6-21(19)26-24)16-18-4-5-22-23(14-18)31-13-12-30-22/h4-5,14-15,20H,1-3,6-13,16-17H2
InChIKeyXFYSQQNWQYJIDY-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 59670560) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID59670560
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cc2c(cc1CN1CCc3nc(N4CCN(C5CCC5)CC4)ncc3C1)OCCO2
InChIInChI=1S/C24H31N5O2/c1-2-20(3-1)28-8-10-29(11-9-28)24-25-15-19-17-27(7-6-21(19)26-24)16-18-4-5-22-23(14-18)31-13-12-30-22/h4-5,14-15,20H,1-3,6-13,16-17H2
InChIKeyXFYSQQNWQYJIDY-UHFFFAOYSA-N
XLogP2.48
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 59670560) is 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cc2c(cc1CN1CCc3nc(N4CCN(C5CCC5)CC4)ncc3C1)OCCO2.
What is the InChIKey of 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XFYSQQNWQYJIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-2-20(3-1)28-8-10-29(11-9-28)24-25-15-19-17-27(7-6-21(19)26-24)16-18-4-5-22-23(14-18)31-13-12-30-22/h4-5,14-15,20H,1-3,6-13,16-17H2.
What are the key properties of 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 421.55 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylpiperazin-1-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 59670560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).