2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one

C24H28N4O3 — CID 11539020

IUPAC2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCOc1nccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12
InChIInChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
InChIKeyFJPDUNSHNPHJFS-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.40
Rot. Bonds5

About 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one

2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 11539020) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID11539020
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCOc1nccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12
InChIInChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
InChIKeyFJPDUNSHNPHJFS-UHFFFAOYSA-N
XLogP3.40
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one (CID 11539020) is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one is COc1nccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12.
What is the InChIKey of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FJPDUNSHNPHJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3.
What are the key properties of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one?
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 420.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 11539020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).