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

C22H20F3N5O2 — CID 57336177

IUPAC2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccnc1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C22H20F3N5O2/c1-13(18-12-29(2)19-6-5-16(31)9-17(18)19)21(32)27-11-15-8-20(22(23,24)25)28-30(15)14-4-3-7-26-10-14/h3-10,12-13,31H,11H2,1-2H3,(H,27,32)
InChIKeyLCGDYMSGBNRDET-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.90
Rot. Bonds5

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

2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (PubChem CID 57336177) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
PubChem CID57336177
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccnc1)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C22H20F3N5O2/c1-13(18-12-29(2)19-6-5-16(31)9-17(18)19)21(32)27-11-15-8-20(22(23,24)25)28-30(15)14-4-3-7-26-10-14/h3-10,12-13,31H,11H2,1-2H3,(H,27,32)
InChIKeyLCGDYMSGBNRDET-UHFFFAOYSA-N
XLogP3.90
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.90
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-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (CID 57336177) is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccnc1)c1cn(C)c2ccc(O)cc12.
What is the InChIKey of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The InChIKey is LCGDYMSGBNRDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-13(18-12-29(2)19-6-5-16(31)9-17(18)19)21(32)27-11-15-8-20(22(23,24)25)28-30(15)14-4-3-7-26-10-14/h3-10,12-13,31H,11H2,1-2H3,(H,27,32).
What are the key properties of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide has a molecular weight of 443.43 g/mol, XLogP of 3.90, 5 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-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 57336177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).