2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol

C34H48N6O — CID 144518643

About 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol

2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol (PubChem CID 144518643) has the molecular formula C34H48N6O and a molecular weight of 556.80 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol
• PubChem CID: 144518643
• Molecular Formula: C34H48N6O
• Molecular Weight: 556.80 g/mol
• Exact Mass: 556.39
• IUPAC Name: 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol
• SMILES: CC.CO.Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4n[nH]c(C)c34)nc(N3CCCCC3)c2C1
• InChI: InChI=1S/C31H38N6.C2H6.CH4O/c1-19(2)23-11-9-20(3)27(17-23)37-16-13-25-24(18-37)31(36-14-7-6-8-15-36)33-30(32-25)28-21(4)10-12-26-29(28)22(5)34-35-26;2*1-2/h9-12,17,19H,6-8,13-16,18H2,1-5H3,(H,34,35);1-2H3;2H,1H3
• InChIKey: QNPCVOHOQQDXOG-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 81.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.80
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol?

The IUPAC name of 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol (CID 144518643) is 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol.

What is the SMILES notation for 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol?

The canonical SMILES for 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol is CC.CO.Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4n[nH]c(C)c34)nc(N3CCCCC3)c2C1.

What is the InChIKey of 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol?

The InChIKey is QNPCVOHOQQDXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6.C2H6.CH4O/c1-19(2)23-11-9-20(3)27(17-23)37-16-13-25-24(18-37)31(36-14-7-6-8-15-36)33-30(32-25)28-21(4)10-12-26-29(28)22(5)34-35-26;2*1-2/h9-12,17,19H,6-8,13-16,18H2,1-5H3,(H,34,35);1-2H3;2H,1H3.

What are the key properties of 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol?

2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol has a molecular weight of 556.80 g/mol, XLogP of 7.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;ethane;methanol is sourced from PubChem (CID 144518643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).