6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid

C37H36Cl2N6O4 — CID 145363726

About 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid

6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid (PubChem CID 145363726) has the molecular formula C37H36Cl2N6O4 and a molecular weight of 699.64 g/mol. Its IUPAC name is 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid
• PubChem CID: 145363726
• Molecular Formula: C37H36Cl2N6O4
• Molecular Weight: 699.64 g/mol
• Exact Mass: 698.22
• IUPAC Name: 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid
• SMILES: Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)[C@H](C)CN(c2cc(C(=O)O)c4cn[nH]c4c2)C3=O)cc(C)c1Cl
• InChI: InChI=1S/C37H36Cl2N6O4/c1-18-12-24(13-19(2)33(18)39)49-11-7-8-25-26-9-10-29(38)32(31-21(4)42-43(6)22(31)5)34(26)45-20(3)17-44(36(46)35(25)45)23-14-27(37(47)48)28-16-40-41-30(28)15-23/h9-10,12-16,20H,7-8,11,17H2,1-6H3,(H,40,41)(H,47,48)/t20-/m1/s1
• InChIKey: AUPRQCZSJJPXDP-HXUWFJFHSA-N
• XLogP: 8.39
• TPSA: 118.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.64
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid?

The IUPAC name of 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid (CID 145363726) is 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid.

What is the SMILES notation for 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid?

The canonical SMILES for 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid is Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)[C@H](C)CN(c2cc(C(=O)O)c4cn[nH]c4c2)C3=O)cc(C)c1Cl.

What is the InChIKey of 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid?

The InChIKey is AUPRQCZSJJPXDP-HXUWFJFHSA-N. The full InChI is InChI=1S/C37H36Cl2N6O4/c1-18-12-24(13-19(2)33(18)39)49-11-7-8-25-26-9-10-29(38)32(31-21(4)42-43(6)22(31)5)34(26)45-20(3)17-44(36(46)35(25)45)23-14-27(37(47)48)28-16-40-41-30(28)15-23/h9-10,12-16,20H,7-8,11,17H2,1-6H3,(H,40,41)(H,47,48)/t20-/m1/s1.

What are the key properties of 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid?

6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid has a molecular weight of 699.64 g/mol, XLogP of 8.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 145363726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).