1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid

C26H28F3N5O4 — CID 69140628

IUPAC1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)n1ncc2c(NC(=O)NC3CCc4c(C5CC5)cccc43)cccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C24H27N5O2.C2HF3O2/c1-28(2)14-23(30)29-22-8-4-7-20(19(22)13-25-29)26-24(31)27-21-12-11-17-16(15-9-10-15)5-3-6-18(17)21;3-2(4,5)1(6)7/h3-8,13,15,21H,9-12,14H2,1-2H3,(H2,26,27,31);(H,6,7)
InChIKeyFEBGJXHXDLUDMC-UHFFFAOYSA-N
MW531.54 g/mol
LogP4.56
Rot. Bonds5

About 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid

1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid (PubChem CID 69140628) has the molecular formula C26H28F3N5O4 and a molecular weight of 531.54 g/mol. Its IUPAC name is 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid
PubChem CID69140628
Molecular FormulaC26H28F3N5O4
Molecular Weight531.54 g/mol
Exact Mass531.21
IUPAC Name1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)n1ncc2c(NC(=O)NC3CCc4c(C5CC5)cccc43)cccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C24H27N5O2.C2HF3O2/c1-28(2)14-23(30)29-22-8-4-7-20(19(22)13-25-29)26-24(31)27-21-12-11-17-16(15-9-10-15)5-3-6-18(17)21;3-2(4,5)1(6)7/h3-8,13,15,21H,9-12,14H2,1-2H3,(H2,26,27,31);(H,6,7)
InChIKeyFEBGJXHXDLUDMC-UHFFFAOYSA-N
XLogP4.56
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.54
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic 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

N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937849
2-[4-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]indazol-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 16732593
N-(3,3-difluorocyclopentyl)-
CID 118937832
N-(2,2-difluorocyclopentyl)-
CID 118937588
N-(cyclopropylmethyl)-2-
CID 118937813
US9783527, Example 328
CID 118937817
US9783527, Example 175
CID 118937934
methyl 4-[({[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino}carbonyl)amino]-1H-indazole-1-carboxylate
CID 11316051
3-(dimethylamino)propyl 4-[(4-cyclopropyl-5-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate
CID 16224279
1-[1-[2-(dimethylamino)acetyl]indazol-4-yl]-3-[4-(3,3-dimethylbutyl)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 16224478
1-[(1R)-4-cyclopropyl-5-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea
CID 16224479
2-[[2-(2,2-difluoroethyl)-5-methylindazol-6-yl]-[2-[(5-fluoro-1,3-dihydroisoindol-2-yl)-methylamino]-2-oxoethyl]amino]-N-pentylacetamide
CID 58135062

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid (CID 69140628) is 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid is CN(C)CC(=O)n1ncc2c(NC(=O)NC3CCc4c(C5CC5)cccc43)cccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid?
The InChIKey is FEBGJXHXDLUDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.C2HF3O2/c1-28(2)14-23(30)29-22-8-4-7-20(19(22)13-25-29)26-24(31)27-21-12-11-17-16(15-9-10-15)5-3-6-18(17)21;3-2(4,5)1(6)7/h3-8,13,15,21H,9-12,14H2,1-2H3,(H2,26,27,31);(H,6,7).
What are the key properties of 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid?
1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid has a molecular weight of 531.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-2,3-dihydro-1H-inden-1-yl)-3-[1-[2-(dimethylamino)acetyl]indazol-4-yl]urea;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69140628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).