2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C29H37N7 — CID 71244844

About 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244844) has the molecular formula C29H37N7 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71244844
• Molecular Formula: C29H37N7
• Molecular Weight: 483.66 g/mol
• Exact Mass: 483.31
• IUPAC Name: 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1c[nH]c2cccc(-c3nc4c(c(N5CCCC[C@@H]5C)n3)CN(c3cc(C(C)C)nn3C)CC4)c12
• InChI: InChI=1S/C29H37N7/c1-18(2)25-15-26(34(5)33-25)35-14-12-23-22(17-35)29(36-13-7-6-9-20(36)4)32-28(31-23)21-10-8-11-24-27(21)19(3)16-30-24/h8,10-11,15-16,18,20,30H,6-7,9,12-14,17H2,1-5H3/t20-/m0/s1
• InChIKey: WOZJYBPACRVUQJ-FQEVSTJZSA-N
• XLogP: 5.73
• TPSA: 65.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.66
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244844) is 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1c[nH]c2cccc(-c3nc4c(c(N5CCCC[C@@H]5C)n3)CN(c3cc(C(C)C)nn3C)CC4)c12.

What is the InChIKey of 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is WOZJYBPACRVUQJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H37N7/c1-18(2)25-15-26(34(5)33-25)35-14-12-23-22(17-35)29(36-13-7-6-9-20(36)4)32-28(31-23)21-10-8-11-24-27(21)19(3)16-30-24/h8,10-11,15-16,18,20,30H,6-7,9,12-14,17H2,1-5H3/t20-/m0/s1.

What are the key properties of 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 483.66 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-1H-indol-4-yl)-4-[(2S)-2-methylpiperidin-1-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).