2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

C26H27F3N4O2 — CID 57334257

IUPAC2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C)c1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)c1
InChIInChI=1S/C26H27F3N4O2/c1-15(2)17-6-5-7-18(10-17)33-19(11-24(31-33)26(27,28)29)13-30-25(35)16(3)22-14-32(4)23-9-8-20(34)12-21(22)23/h5-12,14-16,34H,13H2,1-4H3,(H,30,35)
InChIKeyVJCAWFQAVSNRBC-UHFFFAOYSA-N
MW484.52 g/mol
LogP5.63
Rot. Bonds6

About 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (PubChem CID 57334257) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
PubChem CID57334257
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C)c1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)c1
InChIInChI=1S/C26H27F3N4O2/c1-15(2)17-6-5-7-18(10-17)33-19(11-24(31-33)26(27,28)29)13-30-25(35)16(3)22-14-32(4)23-9-8-20(34)12-21(22)23/h5-12,14-16,34H,13H2,1-4H3,(H,30,35)
InChIKeyVJCAWFQAVSNRBC-UHFFFAOYSA-N
XLogP5.63
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (CID 57334257) is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is CC(C)c1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)c1.
What is the InChIKey of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The InChIKey is VJCAWFQAVSNRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-15(2)17-6-5-7-18(10-17)33-19(11-24(31-33)26(27,28)29)13-30-25(35)16(3)22-14-32(4)23-9-8-20(34)12-21(22)23/h5-12,14-16,34H,13H2,1-4H3,(H,30,35).
What are the key properties of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide has a molecular weight of 484.52 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 57334257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).