1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide

C25H24F4N4O2 — CID 162654874

IUPAC1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C25H24F4N4O2/c26-18-11-16(10-17(13-18)25(27,28)29)12-19-14-23(32-15-31-19)33-8-6-20-21(4-3-5-22(20)33)24(35)30-7-1-2-9-34/h3-5,10-11,13-15,34H,1-2,6-9,12H2,(H,30,35)
InChIKeySCZSOLFNVLQXMA-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.42
Rot. Bonds8

About 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide

1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162654874) has the molecular formula C25H24F4N4O2 and a molecular weight of 488.49 g/mol. Its IUPAC name is 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162654874
Molecular FormulaC25H24F4N4O2
Molecular Weight488.49 g/mol
Exact Mass488.18
IUPAC Name1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C25H24F4N4O2/c26-18-11-16(10-17(13-18)25(27,28)29)12-19-14-23(32-15-31-19)33-8-6-20-21(4-3-5-22(20)33)24(35)30-7-1-2-9-34/h3-5,10-11,13-15,34H,1-2,6-9,12H2,(H,30,35)
InChIKeySCZSOLFNVLQXMA-UHFFFAOYSA-N
XLogP4.42
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
N-(2-fluoroethyl)-1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162647123
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-methoxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162649639
N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162652119
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162654687
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]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162655610
1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162656501

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide (CID 162654874) is 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.
What is the InChIKey of 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is SCZSOLFNVLQXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O2/c26-18-11-16(10-17(13-18)25(27,28)29)12-19-14-23(32-15-31-19)33-8-6-20-21(4-3-5-22(20)33)24(35)30-7-1-2-9-34/h3-5,10-11,13-15,34H,1-2,6-9,12H2,(H,30,35).
What are the key properties of 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide?
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(4-hydroxybutyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162654874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).