6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C29H36N8 — CID 71239147

About 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71239147) has the molecular formula C29H36N8 and a molecular weight of 496.66 g/mol. Its IUPAC name is 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71239147
• Molecular Formula: C29H36N8
• Molecular Weight: 496.66 g/mol
• Exact Mass: 496.31
• IUPAC Name: 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3CCCCC3C)n1)CN(c1cc(C3CC3)nn1C)CC2
• InChI: InChI=1S/C29H36N8/c1-17-8-11-23-27(19(3)32-33-23)26(17)28-30-22-12-14-36(25-15-24(20-9-10-20)34-35(25)4)16-21(22)29(31-28)37-13-6-5-7-18(37)2/h8,11,15,18,20H,5-7,9-10,12-14,16H2,1-4H3,(H,32,33)
• InChIKey: BQPDXQNXYOCAKJ-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 78.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.66
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71239147) is 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3CCCCC3C)n1)CN(c1cc(C3CC3)nn1C)CC2.

What is the InChIKey of 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is BQPDXQNXYOCAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8/c1-17-8-11-23-27(19(3)32-33-23)26(17)28-30-22-12-14-36(25-15-24(20-9-10-20)34-35(25)4)16-21(22)29(31-28)37-13-6-5-7-18(37)2/h8,11,15,18,20H,5-7,9-10,12-14,16H2,1-4H3,(H,32,33).

What are the key properties of 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 496.66 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71239147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).