4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C32H40N4O2 — CID 167555419

About 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 167555419) has the molecular formula C32H40N4O2 and a molecular weight of 512.70 g/mol. Its IUPAC name is 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
• PubChem CID: 167555419
• Molecular Formula: C32H40N4O2
• Molecular Weight: 512.70 g/mol
• Exact Mass: 512.32
• IUPAC Name: 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
• SMILES: Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)nc(N5CCC6(CCC6)CC5)c4CO3)c12
• InChI: InChI=1S/C32H40N4O2/c1-22-7-3-8-23-9-4-11-25(29(22)23)28-19-27-26(21-37-28)30(36-17-14-32(15-18-36)12-6-13-32)34-31(33-27)38-20-24-10-5-16-35(24)2/h3-4,7-9,11,24,28H,5-6,10,12-21H2,1-2H3/t24-,28?/m0/s1
• InChIKey: CEBIJOKWZNWOBE-ZZDYIDRTSA-N
• XLogP: 6.00
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.70
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?

The IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 167555419) is 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

What is the SMILES notation for 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?

The canonical SMILES for 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Cc1cccc2cccc(C3Cc4nc(OC[C@@H]5CCCN5C)nc(N5CCC6(CCC6)CC5)c4CO3)c12.

What is the InChIKey of 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?

The InChIKey is CEBIJOKWZNWOBE-ZZDYIDRTSA-N. The full InChI is InChI=1S/C32H40N4O2/c1-22-7-3-8-23-9-4-11-25(29(22)23)28-19-27-26(21-37-28)30(36-17-14-32(15-18-36)12-6-13-32)34-31(33-27)38-20-24-10-5-16-35(24)2/h3-4,7-9,11,24,28H,5-6,10,12-21H2,1-2H3/t24-,28?/m0/s1.

What are the key properties of 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?

4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 512.70 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-azaspiro[3.5]nonan-7-yl)-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 167555419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).