3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide

C22H24F3N5O2 — CID 53203566

IUPAC3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C22H24F3N5O2/c1-32-18-6-2-15(3-7-18)4-9-20(31)26-17-10-12-29(13-11-17)21-28-27-19-8-5-16(14-30(19)21)22(23,24)25/h2-3,5-8,14,17H,4,9-13H2,1H3,(H,26,31)
InChIKeyBLDPUPGKAHBZTB-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.47
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide

3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide (PubChem CID 53203566) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide
PubChem CID53203566
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C22H24F3N5O2/c1-32-18-6-2-15(3-7-18)4-9-20(31)26-17-10-12-29(13-11-17)21-28-27-19-8-5-16(14-30(19)21)22(23,24)25/h2-3,5-8,14,17H,4,9-13H2,1H3,(H,26,31)
InChIKeyBLDPUPGKAHBZTB-UHFFFAOYSA-N
XLogP3.47
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide (CID 53203566) is 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide is COc1ccc(CCC(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide?
The InChIKey is BLDPUPGKAHBZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-32-18-6-2-15(3-7-18)4-9-20(31)26-17-10-12-29(13-11-17)21-28-27-19-8-5-16(14-30(19)21)22(23,24)25/h2-3,5-8,14,17H,4,9-13H2,1H3,(H,26,31).
What are the key properties of 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide?
3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide has a molecular weight of 447.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53203566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).