2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C32H39N5 — CID 176625965

IUPAC2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1ccc(C2(c3ccc(N4CCc5cnc(N6CCC7(CC6)CN(C)C7)nc5C4)cc3)CCC2)cc1
InChIInChI=1S/C32H39N5/c1-24-4-6-26(7-5-24)32(13-3-14-32)27-8-10-28(11-9-27)37-17-12-25-20-33-30(34-29(25)21-37)36-18-15-31(16-19-36)22-35(2)23-31/h4-11,20H,3,12-19,21-23H2,1-2H3
InChIKeyIZFZJHROMOTOFP-UHFFFAOYSA-N
MW493.70 g/mol
LogP5.35
Rot. Bonds4

About 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 176625965) has the molecular formula C32H39N5 and a molecular weight of 493.70 g/mol. Its IUPAC name is 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID176625965
Molecular FormulaC32H39N5
Molecular Weight493.70 g/mol
Exact Mass493.32
IUPAC Name2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1ccc(C2(c3ccc(N4CCc5cnc(N6CCC7(CC6)CN(C)C7)nc5C4)cc3)CCC2)cc1
InChIInChI=1S/C32H39N5/c1-24-4-6-26(7-5-24)32(13-3-14-32)27-8-10-28(11-9-27)37-17-12-25-20-33-30(34-29(25)21-37)36-18-15-31(16-19-36)22-35(2)23-31/h4-11,20H,3,12-19,21-23H2,1-2H3
InChIKeyIZFZJHROMOTOFP-UHFFFAOYSA-N
XLogP5.35
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

2-(3-methylazetidin-1-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 176626034
2-imidazol-1-yl-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 176625629
7-[7-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-oxa-7-azaspiro[4.4]nonane
CID 176626222
2-methyl-7-(4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 163257013
2-methyl-6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
CID 176625502
6-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 176625911
6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
CID 176626260
2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 170573194
2-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118639949
2-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonane
CID 176625968
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249
ethane;7-methyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.5]nonane
CID 171069701

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 176625965) is 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ccc(C2(c3ccc(N4CCc5cnc(N6CCC7(CC6)CN(C)C7)nc5C4)cc3)CCC2)cc1.
What is the InChIKey of 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is IZFZJHROMOTOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5/c1-24-4-6-26(7-5-24)32(13-3-14-32)27-8-10-28(11-9-27)37-17-12-25-20-33-30(34-29(25)21-37)36-18-15-31(16-19-36)22-35(2)23-31/h4-11,20H,3,12-19,21-23H2,1-2H3.
What are the key properties of 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 493.70 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-7-[4-[1-(4-methylphenyl)cyclobutyl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 176625965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).