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

C31H39ClN8O — CID 71244817

About 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2R,4R)-4-ethoxy-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-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71244817) has the molecular formula C31H39ClN8O and a molecular weight of 575.16 g/mol. Its IUPAC name is 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2R,4R)-4-ethoxy-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-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 71244817
• Molecular Formula: C31H39ClN8O
• Molecular Weight: 575.16 g/mol
• Exact Mass: 574.29
• IUPAC Name: 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CCO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)[C@H](C)C1
• InChI: InChI=1S/C31H39ClN8O/c1-6-41-21-11-14-40(18(3)15-21)30-22-16-39(31-27(32)28(20-8-9-20)37-38(31)5)13-12-23(22)33-29(34-30)25-17(2)7-10-24-26(25)19(4)35-36-24/h7,10,18,20-21H,6,8-9,11-16H2,1-5H3,(H,35,36)/t18-,21-/m1/s1
• InChIKey: DWCXAHQFIRCPQL-WIYYLYMNSA-N
• XLogP: 5.86
• TPSA: 87.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.16
LogP ≤ 5	5.86
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-[(2R,4R)-4-ethoxy-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-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71244817) is 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2R,4R)-4-ethoxy-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-[(2R,4R)-4-ethoxy-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-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)[C@H](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-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is DWCXAHQFIRCPQL-WIYYLYMNSA-N. The full InChI is InChI=1S/C31H39ClN8O/c1-6-41-21-11-14-40(18(3)15-21)30-22-16-39(31-27(32)28(20-8-9-20)37-38(31)5)13-12-23(22)33-29(34-30)25-17(2)7-10-24-26(25)19(4)35-36-24/h7,10,18,20-21H,6,8-9,11-16H2,1-5H3,(H,35,36)/t18-,21-/m1/s1.

What are the key properties of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2R,4R)-4-ethoxy-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-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 575.16 g/mol, XLogP of 5.86, 6 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-[(2R,4R)-4-ethoxy-2-methylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71244817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).