7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]

C31H39N5O — CID 164980472

About 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]

7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] (PubChem CID 164980472) has the molecular formula C31H39N5O and a molecular weight of 497.69 g/mol. Its IUPAC name is 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane].

Molecular Properties

• Compound Name: 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]
• PubChem CID: 164980472
• Molecular Formula: C31H39N5O
• Molecular Weight: 497.69 g/mol
• Exact Mass: 497.32
• IUPAC Name: 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]
• SMILES: Cc1cccc2cccc(N3Cc4nc(OC[C@@H]5CCCN5C)nc(N5CCCCC5)c4C4(CC4)C3)c12
• InChI: InChI=1S/C31H39N5O/c1-22-9-6-10-23-11-7-13-26(27(22)23)36-19-25-28(31(21-36)14-15-31)29(35-17-4-3-5-18-35)33-30(32-25)37-20-24-12-8-16-34(24)2/h6-7,9-11,13,24H,3-5,8,12,14-21H2,1-2H3/t24-/m0/s1
• InChIKey: VQONDNXSHHTDRN-DEOSSOPVSA-N
• XLogP: 5.45
• 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	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]?

The IUPAC name of 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] (CID 164980472) is 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane].

What is the SMILES notation for 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]?

The canonical SMILES for 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] is Cc1cccc2cccc(N3Cc4nc(OC[C@@H]5CCCN5C)nc(N5CCCCC5)c4C4(CC4)C3)c12.

What is the InChIKey of 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]?

The InChIKey is VQONDNXSHHTDRN-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H39N5O/c1-22-9-6-10-23-11-7-13-26(27(22)23)36-19-25-28(31(21-36)14-15-31)29(35-17-4-3-5-18-35)33-30(32-25)37-20-24-12-8-16-34(24)2/h6-7,9-11,13,24H,3-5,8,12,14-21H2,1-2H3/t24-/m0/s1.

What are the key properties of 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]?

7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] has a molecular weight of 497.69 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperidin-1-ylspiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] is sourced from PubChem (CID 164980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).