1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone

C34H40N6O — CID 71240552

About 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone

1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone (PubChem CID 71240552) has the molecular formula C34H40N6O and a molecular weight of 548.74 g/mol. Its IUPAC name is 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
• PubChem CID: 71240552
• Molecular Formula: C34H40N6O
• Molecular Weight: 548.74 g/mol
• Exact Mass: 548.33
• IUPAC Name: 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
• SMILES: CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC12CC2
• InChI: InChI=1S/C34H40N6O/c1-21(2)25-10-9-22(3)30(17-25)38-14-11-28-27(19-38)33(39-15-16-40(24(5)41)34(20-39)12-13-34)37-32(36-28)26-7-6-8-29-31(26)23(4)18-35-29/h6-10,17-18,21,35H,11-16,19-20H2,1-5H3
• InChIKey: ISMUNEXRSVGJQS-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 68.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.74
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?

The IUPAC name of 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone (CID 71240552) is 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone.

What is the SMILES notation for 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?

The canonical SMILES for 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone is CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC12CC2.

What is the InChIKey of 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?

The InChIKey is ISMUNEXRSVGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O/c1-21(2)25-10-9-22(3)30(17-25)38-14-11-28-27(19-38)33(39-15-16-40(24(5)41)34(20-39)12-13-34)37-32(36-28)26-7-6-8-29-31(26)23(4)18-35-29/h6-10,17-18,21,35H,11-16,19-20H2,1-5H3.

What are the key properties of 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?

1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone has a molecular weight of 548.74 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[2-(3-methyl-1H-indol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone is sourced from PubChem (CID 71240552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).