N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide

C23H21F3N4O3 — CID 162655975

IUPACN-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(OC(F)(F)F)c2)ncn1
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)33-17-4-1-3-15(12-17)11-16-13-21(29-14-28-16)30-9-7-18-19(5-2-6-20(18)30)22(32)27-8-10-31/h1-6,12-14,31H,7-11H2,(H,27,32)
InChIKeyFOYLUPFNUCGXLW-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.38
Rot. Bonds7

About N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide

N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 162655975) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
PubChem CID162655975
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(OC(F)(F)F)c2)ncn1
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)33-17-4-1-3-15(12-17)11-16-13-21(29-14-28-16)30-9-7-18-19(5-2-6-20(18)30)22(32)27-8-10-31/h1-6,12-14,31H,7-11H2,(H,27,32)
InChIKeyFOYLUPFNUCGXLW-UHFFFAOYSA-N
XLogP3.38
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (CID 162655975) is N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(OC(F)(F)F)c2)ncn1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is FOYLUPFNUCGXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c24-23(25,26)33-17-4-1-3-15(12-17)11-16-13-21(29-14-28-16)30-9-7-18-19(5-2-6-20(18)30)22(32)27-8-10-31/h1-6,12-14,31H,7-11H2,(H,27,32).
What are the key properties of N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
N-(2-hydroxyethyl)-1-[6-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.38, 7 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-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162655975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).