3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid

C32H25N3O4 — CID 146001223

IUPAC3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid
SMILESCOC(=O)c1cccc(Cn2ncc3ccc(-c4ccc5ccn(Cc6cccc(C(=O)O)c6)c5c4)cc32)c1
InChIInChI=1S/C32H25N3O4/c1-39-32(38)27-7-3-5-22(15-27)20-35-30-17-25(10-11-28(30)18-33-35)24-9-8-23-12-13-34(29(23)16-24)19-21-4-2-6-26(14-21)31(36)37/h2-18H,19-20H2,1H3,(H,36,37)
InChIKeyOWEONJFWUSDZMK-UHFFFAOYSA-N
MW515.57 g/mol
LogP6.24
Rot. Bonds7

About 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid

3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid (PubChem CID 146001223) has the molecular formula C32H25N3O4 and a molecular weight of 515.57 g/mol. Its IUPAC name is 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid
PubChem CID146001223
Molecular FormulaC32H25N3O4
Molecular Weight515.57 g/mol
Exact Mass515.18
IUPAC Name3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid
SMILESCOC(=O)c1cccc(Cn2ncc3ccc(-c4ccc5ccn(Cc6cccc(C(=O)O)c6)c5c4)cc32)c1
InChIInChI=1S/C32H25N3O4/c1-39-32(38)27-7-3-5-22(15-27)20-35-30-17-25(10-11-28(30)18-33-35)24-9-8-23-12-13-34(29(23)16-24)19-21-4-2-6-26(14-21)31(36)37/h2-18H,19-20H2,1H3,(H,36,37)
InChIKeyOWEONJFWUSDZMK-UHFFFAOYSA-N
XLogP6.24
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid with MolForge

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Related Compounds

4-[7,7,10,10-Tetramethyl-1-(pyridin-3-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indazol-3-yl]benzoic acid
CID 10458344
4-Cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037881
3-[[6-[1-[(4-Methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 53345708
3-[[6-[1-[(3-Methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682147
Methyl 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-4-carboxylate
CID 118496557
3-[(1-Acetylindole-3-carbonyl)amino]-5-(1-methylindazol-5-yl)benzoic acid
CID 141736374
Ethyl 4-[1-(pyridin-2-ylmethyl)indazol-3-yl]benzoate
CID 44451921
3-[[6-[1-[(4-Fluorophenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 56589588
6-Phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid
CID 71601937
3-[[6-[1-[(3-Carboxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682141
3-((6-(1-((3-Methoxycarbonylphenyl)methyl)indol-6-yl)indol-1-yl)methyl)benzoic acid
CID 90682142
3-[[6-[1-[(3-Ethoxycarbonylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682143

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid?
The IUPAC name of 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid (CID 146001223) is 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid is COC(=O)c1cccc(Cn2ncc3ccc(-c4ccc5ccn(Cc6cccc(C(=O)O)c6)c5c4)cc32)c1.
What is the InChIKey of 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid?
The InChIKey is OWEONJFWUSDZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O4/c1-39-32(38)27-7-3-5-22(15-27)20-35-30-17-25(10-11-28(30)18-33-35)24-9-8-23-12-13-34(29(23)16-24)19-21-4-2-6-26(14-21)31(36)37/h2-18H,19-20H2,1H3,(H,36,37).
What are the key properties of 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid?
3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid has a molecular weight of 515.57 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[1-[(3-methoxycarbonylphenyl)methyl]indazol-6-yl]indol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 146001223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).