4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid

C19H15F3N4O3 — CID 69114850

IUPAC4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid
SMILESO=C(Nc1cccc2c1cnn2C(=O)O)NC1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H15F3N4O3/c20-19(21,22)11-5-6-12-10(8-11)4-7-15(12)25-17(27)24-14-2-1-3-16-13(14)9-23-26(16)18(28)29/h1-3,5-6,8-9,15H,4,7H2,(H,28,29)(H2,24,25,27)
InChIKeyPJOWBAVDMOURQB-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.39
Rot. Bonds2

About 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid

4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid (PubChem CID 69114850) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid
PubChem CID69114850
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid
SMILESO=C(Nc1cccc2c1cnn2C(=O)O)NC1CCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H15F3N4O3/c20-19(21,22)11-5-6-12-10(8-11)4-7-15(12)25-17(27)24-14-2-1-3-16-13(14)9-23-26(16)18(28)29/h1-3,5-6,8-9,15H,4,7H2,(H,28,29)(H2,24,25,27)
InChIKeyPJOWBAVDMOURQB-UHFFFAOYSA-N
XLogP4.39
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic 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-[[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazole-1-carboxylic acid
CID 151849875
1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea
CID 162200003
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11244984
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-isoquinolin-5-ylurea
CID 11485180
methyl 4-[[7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazole-1-carboxylate
CID 11496112
2-[4-[[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazol-1-yl]acetic acid
CID 174581519
4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid
CID 141178759
methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate
CID 67189904
1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 24777768
1-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 66685021
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea
CID 24777890
4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167189010

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid?
The IUPAC name of 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid (CID 69114850) is 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid is O=C(Nc1cccc2c1cnn2C(=O)O)NC1CCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid?
The InChIKey is PJOWBAVDMOURQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c20-19(21,22)11-5-6-12-10(8-11)4-7-15(12)25-17(27)24-14-2-1-3-16-13(14)9-23-26(16)18(28)29/h1-3,5-6,8-9,15H,4,7H2,(H,28,29)(H2,24,25,27).
What are the key properties of 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid?
4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid has a molecular weight of 404.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid is sourced from PubChem (CID 69114850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).