4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid

C24H18FN3O3 — CID 155317941

IUPAC4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1c(C)n(-c2cccc(F)c2)c2cc3cn[nH]c3cc12
InChIInChI=1S/C24H18FN3O3/c1-13-23(18-7-6-14(24(29)30)9-22(18)31-2)19-11-20-15(12-26-27-20)8-21(19)28(13)17-5-3-4-16(25)10-17/h3-12H,1-2H3,(H,26,27)(H,29,30)
InChIKeyNYVQIJULPBHKHH-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.33
Rot. Bonds4

About 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid

4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid (PubChem CID 155317941) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid
PubChem CID155317941
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1c(C)n(-c2cccc(F)c2)c2cc3cn[nH]c3cc12
InChIInChI=1S/C24H18FN3O3/c1-13-23(18-7-6-14(24(29)30)9-22(18)31-2)19-11-20-15(12-26-27-20)8-21(19)28(13)17-5-3-4-16(25)10-17/h3-12H,1-2H3,(H,26,27)(H,29,30)
InChIKeyNYVQIJULPBHKHH-UHFFFAOYSA-N
XLogP5.33
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid 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

3-[(1-Ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid
CID 141736367
N-[(3-methoxyphenyl)methyl]-1-phenyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 52934146
3-[[6-[1-[(3-Methoxyphenyl)methyl]indol-6-yl]indazol-2-yl]methyl]benzoic acid
CID 155564271
CID 146000748
CID 146000748
4-[[1-Benzyl-5-(hexanoylamino)indol-3-yl]methyl]-3-methoxybenzoic acid
CID 14626839
4-(5-Amino-1-benzhydryl-1H-indol-3-ylmethyl)-3-methoxy-benzoic acid
CID 44359649
3-fluoro-5-[[6-(2-methyl-1H-indazol-6-yl)indol-1-yl]methyl]benzoic acid
CID 146000638
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]indole-3-carboxamide
CID 52934147
US20250289804, Example 4
CID 166158385
US20250289804, Example 1
CID 166158533
US20250289804, Example 7
CID 177858805
3-[[6-[1-[(3-Methoxyphenyl)methyl]indol-6-yl]indazol-1-yl]methyl]benzoic acid
CID 146000639

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid?
The IUPAC name of 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid (CID 155317941) is 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1-c1c(C)n(-c2cccc(F)c2)c2cc3cn[nH]c3cc12.
What is the InChIKey of 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid?
The InChIKey is NYVQIJULPBHKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c1-13-23(18-7-6-14(24(29)30)9-22(18)31-2)19-11-20-15(12-26-27-20)8-21(19)28(13)17-5-3-4-16(25)10-17/h3-12H,1-2H3,(H,26,27)(H,29,30).
What are the key properties of 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid?
4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid has a molecular weight of 415.42 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-6-methyl-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methoxybenzoic acid is sourced from PubChem (CID 155317941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).