7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one

C24H27BrN4O3 — CID 11677714

IUPAC7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cc(OC2CCN(C3CCC3)CC2)ccc1-c1nc2cc(Br)cnc2c(=O)n1C
InChIInChI=1S/C24H27BrN4O3/c1-28-23(27-20-12-15(25)14-26-22(20)24(28)30)19-7-6-18(13-21(19)31-2)32-17-8-10-29(11-9-17)16-4-3-5-16/h6-7,12-14,16-17H,3-5,8-11H2,1-2H3
InChIKeyJGZZAYMWBPUUCY-UHFFFAOYSA-N
MW499.41 g/mol
LogP4.16
Rot. Bonds5

About 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one

7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 11677714) has the molecular formula C24H27BrN4O3 and a molecular weight of 499.41 g/mol. Its IUPAC name is 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID11677714
Molecular FormulaC24H27BrN4O3
Molecular Weight499.41 g/mol
Exact Mass498.13
IUPAC Name7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCOc1cc(OC2CCN(C3CCC3)CC2)ccc1-c1nc2cc(Br)cnc2c(=O)n1C
InChIInChI=1S/C24H27BrN4O3/c1-28-23(27-20-12-15(25)14-26-22(20)24(28)30)19-7-6-18(13-21(19)31-2)32-17-8-10-29(11-9-17)16-4-3-5-16/h6-7,12-14,16-17H,3-5,8-11H2,1-2H3
InChIKeyJGZZAYMWBPUUCY-UHFFFAOYSA-N
XLogP4.16
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
CID 67243853
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
CID 23151327
2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
CID 11524620
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
CID 172752765
3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine
CID 141120874
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
CID 23151162
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
6-(1-cyclobutylpiperidin-4-yl)oxy-1-(6-methoxy-3-pyridinyl)-3,4-dihydroquinolin-2-one
CID 66683944
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
4-[4-(6-amino-2-pyridinyl)-3-methoxyphenoxy]piperidine-1-carboxylic acid
CID 66624899
2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
CID 174733971
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one (CID 11677714) is 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one is COc1cc(OC2CCN(C3CCC3)CC2)ccc1-c1nc2cc(Br)cnc2c(=O)n1C.
What is the InChIKey of 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is JGZZAYMWBPUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O3/c1-28-23(27-20-12-15(25)14-26-22(20)24(28)30)19-7-6-18(13-21(19)31-2)32-17-8-10-29(11-9-17)16-4-3-5-16/h6-7,12-14,16-17H,3-5,8-11H2,1-2H3.
What are the key properties of 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one?
7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 499.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 11677714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).