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

C27H31F3N8 — CID 129113067

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

2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 129113067) has the molecular formula C27H31F3N8 and a molecular weight of 524.60 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 129113067
• Molecular Formula: C27H31F3N8
• Molecular Weight: 524.60 g/mol
• Exact Mass: 524.26
• IUPAC Name: 2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Cc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3CCCC(C)C3)n1)CN(c1cc(C(F)(F)F)nn1C)CC2
• InChI: InChI=1S/C27H31F3N8/c1-15-6-5-10-38(13-15)26-18-14-37(22-12-21(27(28,29)30)35-36(22)4)11-9-19(18)31-25(32-26)23-16(2)7-8-20-24(23)17(3)33-34-20/h7-8,12,15H,5-6,9-11,13-14H2,1-4H3,(H,33,34)
• InChIKey: LXJSGSWDJLFYAN-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 78.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.60
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 129113067) is 2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3CCCC(C)C3)n1)CN(c1cc(C(F)(F)F)nn1C)CC2.

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

The InChIKey is LXJSGSWDJLFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N8/c1-15-6-5-10-38(13-15)26-18-14-37(22-12-21(27(28,29)30)35-36(22)4)11-9-19(18)31-25(32-26)23-16(2)7-8-20-24(23)17(3)33-34-20/h7-8,12,15H,5-6,9-11,13-14H2,1-4H3,(H,33,34).

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

2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 524.60 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 129113067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).