4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C33H40N6O5 — CID 162356405

About 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 162356405) has the molecular formula C33H40N6O5 and a molecular weight of 600.72 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 162356405
• Molecular Formula: C33H40N6O5
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.31
• IUPAC Name: 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CCNC(=O)c1cc2c(-c3cc4c(cc3Oc3c(C)cccc3C)c(N(C)CCO)nn4CC(C)(C)O)cn(C)c(=O)c2[nH]1
• InChI: InChI=1S/C33H40N6O5/c1-8-34-31(41)25-14-22-24(17-38(7)32(42)28(22)35-25)21-15-26-23(16-27(21)44-29-19(2)10-9-11-20(29)3)30(37(6)12-13-40)36-39(26)18-33(4,5)43/h9-11,14-17,35,40,43H,8,12-13,18H2,1-7H3,(H,34,41)
• InChIKey: FSICYVPQOKQNPQ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 137.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 162356405) is 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc4c(cc3Oc3c(C)cccc3C)c(N(C)CCO)nn4CC(C)(C)O)cn(C)c(=O)c2[nH]1.

What is the InChIKey of 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is FSICYVPQOKQNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O5/c1-8-34-31(41)25-14-22-24(17-38(7)32(42)28(22)35-25)21-15-26-23(16-27(21)44-29-19(2)10-9-11-20(29)3)30(37(6)12-13-40)36-39(26)18-33(4,5)43/h9-11,14-17,35,40,43H,8,12-13,18H2,1-7H3,(H,34,41).

What are the key properties of 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 600.72 g/mol, XLogP of 4.24, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2,6-dimethylphenoxy)-3-[2-hydroxyethyl(methyl)amino]-1-(2-hydroxy-2-methylpropyl)indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162356405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).