1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

C23H18F3N5O — CID 165142740

IUPAC1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)N(Cc1cnc3ccnn3c1)CC2
InChIInChI=1S/C23H18F3N5O/c24-23(25,26)18-2-1-3-19(11-18)29-22(32)17-5-4-16-7-9-30(20(16)10-17)13-15-12-27-21-6-8-28-31(21)14-15/h1-6,8,10-12,14H,7,9,13H2,(H,29,32)
InChIKeySYHZKPJVTWKXGV-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.56
Rot. Bonds4

About 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 165142740) has the molecular formula C23H18F3N5O and a molecular weight of 437.43 g/mol. Its IUPAC name is 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
PubChem CID165142740
Molecular FormulaC23H18F3N5O
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)N(Cc1cnc3ccnn3c1)CC2
InChIInChI=1S/C23H18F3N5O/c24-23(25,26)18-2-1-3-19(11-18)29-22(32)17-5-4-16-7-9-30(20(16)10-17)13-15-12-27-21-6-8-28-31(21)14-15/h1-6,8,10-12,14H,7,9,13H2,(H,29,32)
InChIKeySYHZKPJVTWKXGV-UHFFFAOYSA-N
XLogP4.56
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide 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

6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143290
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24783650
1-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 170558583
N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide
CID 165142612
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142581
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142606
1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142575
N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide
CID 141166298
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142586
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109172440
3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841691

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (CID 165142740) is 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)N(Cc1cnc3ccnn3c1)CC2.
What is the InChIKey of 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?
The InChIKey is SYHZKPJVTWKXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O/c24-23(25,26)18-2-1-3-19(11-18)29-22(32)17-5-4-16-7-9-30(20(16)10-17)13-15-12-27-21-6-8-28-31(21)14-15/h1-6,8,10-12,14H,7,9,13H2,(H,29,32).
What are the key properties of 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?
1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).