N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide

C22H19F3N4O2S — CID 162652119

IUPACN-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Sc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C22H19F3N4O2S/c23-22(24,25)14-3-1-4-15(11-14)32-20-12-19(27-13-28-20)29-9-7-16-17(5-2-6-18(16)29)21(31)26-8-10-30/h1-6,11-13,30H,7-10H2,(H,26,31)
InChIKeyBBPOUZNYZFXGCD-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.06
Rot. Bonds6

About N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide

N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 162652119) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
PubChem CID162652119
Molecular FormulaC22H19F3N4O2S
Molecular Weight460.48 g/mol
Exact Mass460.12
IUPAC NameN-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Sc2cccc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C22H19F3N4O2S/c23-22(24,25)14-3-1-4-15(11-14)32-20-12-19(27-13-28-20)29-9-7-16-17(5-2-6-18(16)29)21(31)26-8-10-30/h1-6,11-13,30H,7-10H2,(H,26,31)
InChIKeyBBPOUZNYZFXGCD-UHFFFAOYSA-N
XLogP4.06
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-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

N-(2-hydroxyethyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]-2,3-dihydroindole-4-carboxamide
CID 122653730
1-(6-(3-fluoro-5-(trifluoromethyl)benzyl)pyrimidin-4-yl)-N-(2-hydroxyethyl)indoline-4-carboxamide
CID 155977949
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(3-hydroxypropyl)-2,3-dihydroindole-4-carboxamide
CID 162644756
1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162645603
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162649639
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162654687
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide
CID 162654874
N-(1,3-dihydroxypropan-2-yl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162655237
1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162655320
1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162656501
1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162659079
N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162659193

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (CID 162652119) is N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Sc2cccc(C(F)(F)F)c2)ncn1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is BBPOUZNYZFXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c23-22(24,25)14-3-1-4-15(11-14)32-20-12-19(27-13-28-20)29-9-7-16-17(5-2-6-18(16)29)21(31)26-8-10-30/h1-6,11-13,30H,7-10H2,(H,26,31).
What are the key properties of N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162652119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).