4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C31H39N5O — CID 156747945

About 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 156747945) has the molecular formula C31H39N5O and a molecular weight of 497.69 g/mol. Its IUPAC name is 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 156747945
• Molecular Formula: C31H39N5O
• Molecular Weight: 497.69 g/mol
• Exact Mass: 497.32
• IUPAC Name: 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: Cc1cccc2cccc(N3CCc4c(nc(OC[C@@H]5CCCN5C)nc4N4CC5(CC(C)C5)C4)C3)c12
• InChI: InChI=1S/C31H39N5O/c1-21-15-31(16-21)19-36(20-31)29-25-12-14-35(27-11-5-9-23-8-4-7-22(2)28(23)27)17-26(25)32-30(33-29)37-18-24-10-6-13-34(24)3/h4-5,7-9,11,21,24H,6,10,12-20H2,1-3H3/t24-/m0/s1
• InChIKey: OBPLMSQZFPRGIZ-DEOSSOPVSA-N
• XLogP: 5.21
• TPSA: 44.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.69
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 156747945) is 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1cccc2cccc(N3CCc4c(nc(OC[C@@H]5CCCN5C)nc4N4CC5(CC(C)C5)C4)C3)c12.

What is the InChIKey of 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is OBPLMSQZFPRGIZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H39N5O/c1-21-15-31(16-21)19-36(20-31)29-25-12-14-35(27-11-5-9-23-8-4-7-22(2)28(23)27)17-26(25)32-30(33-29)37-18-24-10-6-13-34(24)3/h4-5,7-9,11,21,24H,6,10,12-20H2,1-3H3/t24-/m0/s1.

What are the key properties of 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 497.69 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methyl-2-azaspiro[3.3]heptan-2-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 156747945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).