2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

C25H25F3N4O3 — CID 57336039

IUPAC2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCOc1ccc(Cn2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)cc1
InChIInChI=1S/C25H25F3N4O3/c1-15(21-14-31(2)22-9-6-18(33)11-20(21)22)24(34)29-12-17-10-23(25(26,27)28)30-32(17)13-16-4-7-19(35-3)8-5-16/h4-11,14-15,33H,12-13H2,1-3H3,(H,29,34)
InChIKeyGSBFDLUFDOFBBF-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.58
Rot. Bonds7

About 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (PubChem CID 57336039) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
PubChem CID57336039
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCOc1ccc(Cn2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)cc1
InChIInChI=1S/C25H25F3N4O3/c1-15(21-14-31(2)22-9-6-18(33)11-20(21)22)24(34)29-12-17-10-23(25(26,27)28)30-32(17)13-16-4-7-19(35-3)8-5-16/h4-11,14-15,33H,12-13H2,1-3H3,(H,29,34)
InChIKeyGSBFDLUFDOFBBF-UHFFFAOYSA-N
XLogP4.58
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (CID 57336039) is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is COc1ccc(Cn2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)cc1.
What is the InChIKey of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The InChIKey is GSBFDLUFDOFBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-15(21-14-31(2)22-9-6-18(33)11-20(21)22)24(34)29-12-17-10-23(25(26,27)28)30-32(17)13-16-4-7-19(35-3)8-5-16/h4-11,14-15,33H,12-13H2,1-3H3,(H,29,34).
What are the key properties of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide has a molecular weight of 486.49 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 57336039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).