6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C38H47ClN8O3S — CID 141448911

About 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 141448911) has the molecular formula C38H47ClN8O3S and a molecular weight of 731.37 g/mol. Its IUPAC name is 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 141448911
• Molecular Formula: C38H47ClN8O3S
• Molecular Weight: 731.37 g/mol
• Exact Mass: 730.32
• IUPAC Name: 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CO[C@@H]1CCN(c2nc(-c3cccc4c3cnn4S(=O)(=O)C3(C)C=C(C)C=C(C)C3)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C
• InChI: InChI=1S/C38H47ClN8O3S/c1-23-17-24(2)19-38(5,18-23)51(48,49)47-30-10-8-9-26(27(30)20-40-47)34-41-29-13-15-45(36-32(39)33(25-11-12-25)43-44(36)6)21-28(29)35(42-34)46-16-14-31(50-7)37(3,4)22-46/h8-10,17-18,20,25,31H,11-16,19,21-22H2,1-7H3/t31-,38?/m1/s1
• InChIKey: TZUWJBHYPUXIHT-LERZKORDSA-N
• XLogP: 6.80
• TPSA: 111.27 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	731.37
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 141448911) is 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-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)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CO[C@@H]1CCN(c2nc(-c3cccc4c3cnn4S(=O)(=O)C3(C)C=C(C)C=C(C)C3)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C.

What is the InChIKey of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is TZUWJBHYPUXIHT-LERZKORDSA-N. The full InChI is InChI=1S/C38H47ClN8O3S/c1-23-17-24(2)19-38(5,18-23)51(48,49)47-30-10-8-9-26(27(30)20-40-47)34-41-29-13-15-45(36-32(39)33(25-11-12-25)43-44(36)6)21-28(29)35(42-34)46-16-14-31(50-7)37(3,4)22-46/h8-10,17-18,20,25,31H,11-16,19,21-22H2,1-7H3/t31-,38?/m1/s1.

What are the key properties of 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 731.37 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-[1-(1,3,5-trimethylcyclohexa-2,4-dien-1-yl)sulfonylindazol-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 141448911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).