N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

C25H24F3N3O3 — CID 122653581

IUPACN-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)18-4-1-3-16(12-18)11-17-7-9-29-23(13-17)31-10-8-20-21(5-2-6-22(20)31)24(34)30-14-19(33)15-32/h1-7,9,12-13,19,32-33H,8,10-11,14-15H2,(H,30,34)/t19-/m1/s1
InChIKeyLZPRKXAUCQPXJS-LJQANCHMSA-N
MW471.48 g/mol
LogP3.47
Rot. Bonds7

About N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653581) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653581
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)18-4-1-3-16(12-18)11-17-7-9-29-23(13-17)31-10-8-20-21(5-2-6-22(20)31)24(34)30-14-19(33)15-32/h1-7,9,12-13,19,32-33H,8,10-11,14-15H2,(H,30,34)/t19-/m1/s1
InChIKeyLZPRKXAUCQPXJS-LJQANCHMSA-N
XLogP3.47
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653581) is N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is O=C(NC[C@@H](O)CO)c1cccc2c1CCN2c1cc(Cc2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is LZPRKXAUCQPXJS-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c26-25(27,28)18-4-1-3-16(12-18)11-17-7-9-29-23(13-17)31-10-8-20-21(5-2-6-22(20)31)24(34)30-14-19(33)15-32/h1-7,9,12-13,19,32-33H,8,10-11,14-15H2,(H,30,34)/t19-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).