[1-[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]pyrrolidin-2-yl]methanol

C31H37N5O — CID 71239158

About [1-[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]pyrrolidin-2-yl]methanol

[1-[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]pyrrolidin-2-yl]methanol (PubChem CID 71239158) has the molecular formula C31H37N5O and a molecular weight of 495.67 g/mol. Its IUPAC name is [1-[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]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [1-[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]pyrrolidin-2-yl]methanol
• PubChem CID: 71239158
• Molecular Formula: C31H37N5O
• Molecular Weight: 495.67 g/mol
• Exact Mass: 495.30
• IUPAC Name: [1-[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]pyrrolidin-2-yl]methanol
• SMILES: Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCCC3CO)c2C1
• InChI: InChI=1S/C31H37N5O/c1-19(2)22-11-10-20(3)28(15-22)35-14-12-26-25(17-35)31(36-13-6-7-23(36)18-37)34-30(33-26)24-8-5-9-27-29(24)21(4)16-32-27/h5,8-11,15-16,19,23,32,37H,6-7,12-14,17-18H2,1-4H3
• InChIKey: HTOHLSCARFHXLR-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 68.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.67
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[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]pyrrolidin-2-yl]methanol?

The IUPAC name of [1-[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]pyrrolidin-2-yl]methanol (CID 71239158) is [1-[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]pyrrolidin-2-yl]methanol.

What is the SMILES notation for [1-[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]pyrrolidin-2-yl]methanol?

The canonical SMILES for [1-[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]pyrrolidin-2-yl]methanol is Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCCC3CO)c2C1.

What is the InChIKey of [1-[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]pyrrolidin-2-yl]methanol?

The InChIKey is HTOHLSCARFHXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O/c1-19(2)22-11-10-20(3)28(15-22)35-14-12-26-25(17-35)31(36-13-6-7-23(36)18-37)34-30(33-26)24-8-5-9-27-29(24)21(4)16-32-27/h5,8-11,15-16,19,23,32,37H,6-7,12-14,17-18H2,1-4H3.

What are the key properties of [1-[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]pyrrolidin-2-yl]methanol?

[1-[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]pyrrolidin-2-yl]methanol has a molecular weight of 495.67 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[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]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71239158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).