4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C33H42N6O — CID 71240689

About 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71240689) has the molecular formula C33H42N6O and a molecular weight of 538.74 g/mol. Its IUPAC name is 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71240689
• Molecular Formula: C33H42N6O
• Molecular Weight: 538.74 g/mol
• Exact Mass: 538.34
• IUPAC Name: 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COC1CCN(c2nc(-c3cccc4cnn(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C
• InChI: InChI=1S/C33H42N6O/c1-21(2)23-12-11-22(3)28(17-23)38-15-13-27-26(19-38)32(39-16-14-29(40-7)33(4,5)20-39)36-31(35-27)25-10-8-9-24-18-34-37(6)30(24)25/h8-12,17-18,21,29H,13-16,19-20H2,1-7H3
• InChIKey: WNQAKPUTVRQGSU-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.74
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71240689) is 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COC1CCN(c2nc(-c3cccc4cnn(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C.

What is the InChIKey of 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is WNQAKPUTVRQGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O/c1-21(2)23-12-11-22(3)28(17-23)38-15-13-27-26(19-38)32(39-16-14-29(40-7)33(4,5)20-39)36-31(35-27)25-10-8-9-24-18-34-37(6)30(24)25/h8-12,17-18,21,29H,13-16,19-20H2,1-7H3.

What are the key properties of 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 538.74 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylindazol-7-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71240689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).