4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid

C36H26N4O3 — CID 176771251

IUPAC4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid
SMILESN#Cc1ccc(-c2cc(C(=O)NC3(c4ccc(C(=O)O)cc4)CC3)c3c(cnn3Cc3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C36H26N4O3/c37-20-23-5-8-26(9-6-23)29-18-30-21-38-40(22-24-7-10-25-3-1-2-4-28(25)17-24)33(30)32(19-29)34(41)39-36(15-16-36)31-13-11-27(12-14-31)35(42)43/h1-14,17-19,21H,15-16,22H2,(H,39,41)(H,42,43)
InChIKeyRTKNDPGZYMMDAR-UHFFFAOYSA-N
MW562.63 g/mol
LogP6.89
Rot. Bonds7

About 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid

4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid (PubChem CID 176771251) has the molecular formula C36H26N4O3 and a molecular weight of 562.63 g/mol. Its IUPAC name is 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid
PubChem CID176771251
Molecular FormulaC36H26N4O3
Molecular Weight562.63 g/mol
Exact Mass562.20
IUPAC Name4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid
SMILESN#Cc1ccc(-c2cc(C(=O)NC3(c4ccc(C(=O)O)cc4)CC3)c3c(cnn3Cc3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C36H26N4O3/c37-20-23-5-8-26(9-6-23)29-18-30-21-38-40(22-24-7-10-25-3-1-2-4-28(25)17-24)33(30)32(19-29)34(41)39-36(15-16-36)31-13-11-27(12-14-31)35(42)43/h1-14,17-19,21H,15-16,22H2,(H,39,41)(H,42,43)
InChIKeyRTKNDPGZYMMDAR-UHFFFAOYSA-N
XLogP6.89
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.63
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic 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

4-[1-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 176772030
4-[(1S)-1-[[1-(naphthalen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]indazole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772577
4-[1-[[5-(3-methylsulfonylphenyl)-1-(naphthalen-2-ylmethyl)indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 176771456
4-[[[1-(naphthalen-2-ylmethyl)-5-thiophen-2-ylindazole-7-carbonyl]amino]methyl]benzoic acid
CID 176772850
4-[[[1-[(5-fluoronaphthalen-2-yl)methyl]-5-phenylindazole-7-carbonyl]amino]methyl]benzoic acid
CID 176773066
4-[(1S)-1-[[1-[(6-fluoronaphthalen-2-yl)methyl]-5-phenylindazole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772170
4-[[[1-[[4-(4-fluorophenyl)phenyl]methyl]-5-phenylindazole-7-carbonyl]amino]methyl]benzoic acid
CID 175932883
4-[[[1-[(3-chlorophenyl)methyl]-5-phenylindazole-7-carbonyl]amino]methyl]benzoic acid
CID 176772981
4-[[[1-[(7-fluoronaphthalen-2-yl)methyl]-5-(3-fluorophenyl)indazole-7-carbonyl]amino]methyl]benzoic acid
CID 176772308
4-[1-[[5-(3-dimethylphosphorylphenyl)-1-[(4-phenylphenyl)methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 176771774
4-[(1S)-1-[[1-(naphthalen-2-ylmethyl)-5-(1,2,5-oxadiazol-3-yl)indazole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772489
4-[1-[[5-(3,5-difluorophenyl)-1-[(3-phenylphenyl)methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 176773247

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid?
The IUPAC name of 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid (CID 176771251) is 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid.
What is the SMILES notation for 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid?
The canonical SMILES for 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid is N#Cc1ccc(-c2cc(C(=O)NC3(c4ccc(C(=O)O)cc4)CC3)c3c(cnn3Cc3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid?
The InChIKey is RTKNDPGZYMMDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O3/c37-20-23-5-8-26(9-6-23)29-18-30-21-38-40(22-24-7-10-25-3-1-2-4-28(25)17-24)33(30)32(19-29)34(41)39-36(15-16-36)31-13-11-27(12-14-31)35(42)43/h1-14,17-19,21H,15-16,22H2,(H,39,41)(H,42,43).
What are the key properties of 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid?
4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid has a molecular weight of 562.63 g/mol, XLogP of 6.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(4-cyanophenyl)-1-(naphthalen-2-ylmethyl)indazole-7-carbonyl]amino]cyclopropyl]benzoic acid is sourced from PubChem (CID 176771251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).