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

C28H29N5O3 — CID 162356428

IUPAC4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc4nn(CC)cc4cc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C28H29N5O3/c1-6-29-27(34)23-13-20-21(15-32(5)28(35)25(20)30-23)19-12-22-18(14-33(7-2)31-22)11-24(19)36-26-16(3)9-8-10-17(26)4/h8-15,30H,6-7H2,1-5H3,(H,29,34)
InChIKeyVALULTOFJRALGF-UHFFFAOYSA-N
MW483.57 g/mol
LogP5.06
Rot. Bonds6

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

4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 162356428) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID162356428
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc4nn(CC)cc4cc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C28H29N5O3/c1-6-29-27(34)23-13-20-21(15-32(5)28(35)25(20)30-23)19-12-22-18(14-33(7-2)31-22)11-24(19)36-26-16(3)9-8-10-17(26)4/h8-15,30H,6-7H2,1-5H3,(H,29,34)
InChIKeyVALULTOFJRALGF-UHFFFAOYSA-N
XLogP5.06
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(2,6-dimethylphenoxy)-1-[(1-fluorocyclopropyl)methyl]indazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 162356443
4-[5-cyclopropylsulfonyl-2-(2,6-dimethylphenoxy)phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155560126
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
4-[4-[benzyl-[(4-chlorophenyl)methyl]carbamoyl]-2-(2,6-dimethylphenoxy)phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 87055138
4-[4-[(4-chlorophenyl)-(cyanomethyl)carbamoyl]-2-(2,6-dimethylphenoxy)phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 87055221
N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 167434209
4-[2-[4-[2-(2-aminoethoxy)ethoxy]-2,6-dimethylphenoxy]-5-(2-hydroxypropan-2-yl)phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 168980335
4-[2-(2-chloro-6-methylphenoxy)-5-methylsulfonylphenyl]-6-methyl-7-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 87055395
2-[1-amino-3-(methoxymethylimino)prop-1-en-2-yl]-4-[5-(2,6-dimethylphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 174270625
4-[5-dimethylphosphoryl-3-[(5-fluoro-3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 167434249
N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431652
4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 87055220

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-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)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 162356428) is 4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-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)-2-ethylindazol-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)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc4nn(CC)cc4cc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is VALULTOFJRALGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-6-29-27(34)23-13-20-21(15-32(5)28(35)25(20)30-23)19-12-22-18(14-33(7-2)31-22)11-24(19)36-26-16(3)9-8-10-17(26)4/h8-15,30H,6-7H2,1-5H3,(H,29,34).
What are the key properties of 4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethylphenoxy)-2-ethylindazol-6-yl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162356428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).