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

C30H37ClN8O — CID 78045990

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

6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 78045990) has the molecular formula C30H37ClN8O and a molecular weight of 561.13 g/mol. Its IUPAC name is 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 78045990
• Molecular Formula: C30H37ClN8O
• Molecular Weight: 561.13 g/mol
• Exact Mass: 560.28
• IUPAC Name: 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COC1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)C(C)C1
• InChI: InChI=1S/C30H37ClN8O/c1-16-6-9-23-25(18(3)34-35-23)24(16)28-32-22-11-12-38(30-26(31)27(19-7-8-19)36-37(30)4)15-21(22)29(33-28)39-13-10-20(40-5)14-17(39)2/h6,9,17,19-20H,7-8,10-15H2,1-5H3,(H,34,35)
• InChIKey: ZQZSYOCQVPDXHG-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 87.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.13
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 78045990) is 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COC1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)C(C)C1.

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

The InChIKey is ZQZSYOCQVPDXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN8O/c1-16-6-9-23-25(18(3)34-35-23)24(16)28-32-22-11-12-38(30-26(31)27(19-7-8-19)36-37(30)4)15-21(22)29(33-28)39-13-10-20(40-5)14-17(39)2/h6,9,17,19-20H,7-8,10-15H2,1-5H3,(H,34,35).

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

6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 561.13 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-(4-methoxy-2-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 78045990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).