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

C23H21F3N4O2 — CID 162663893

IUPACN-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)16-6-4-15(5-7-16)12-17-13-21(29-14-28-17)30-10-8-18-19(2-1-3-20(18)30)22(32)27-9-11-31/h1-7,13-14,31H,8-12H2,(H,27,32)
InChIKeyLCYJTMHNROCZQV-UHFFFAOYSA-N
MW442.44 g/mol
LogP3.50
Rot. Bonds6

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

N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 162663893) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
PubChem CID162663893
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)16-6-4-15(5-7-16)12-17-13-21(29-14-28-17)30-10-8-18-19(2-1-3-20(18)30)22(32)27-9-11-31/h1-7,13-14,31H,8-12H2,(H,27,32)
InChIKeyLCYJTMHNROCZQV-UHFFFAOYSA-N
XLogP3.50
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (CID 162663893) is N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is LCYJTMHNROCZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)16-6-4-15(5-7-16)12-17-13-21(29-14-28-17)30-10-8-18-19(2-1-3-20(18)30)22(32)27-9-11-31/h1-7,13-14,31H,8-12H2,(H,27,32).
What are the key properties of N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162663893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).