N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide

C22H24F3N5O — CID 58783871

IUPACN-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide
SMILESO=C(N[C@H](CCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12)C1CCNCC1
InChIInChI=1S/C22H24F3N5O/c23-22(24,25)17-7-9-19-28-29-20(30(19)14-17)18(8-6-15-4-2-1-3-5-15)27-21(31)16-10-12-26-13-11-16/h1-5,7,9,14,16,18,26H,6,8,10-13H2,(H,27,31)/t18-/m1/s1
InChIKeyINPBZORBWHIUKS-GOSISDBHSA-N
MW431.46 g/mol
LogP3.54
Rot. Bonds6

About N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide

N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide (PubChem CID 58783871) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide
PubChem CID58783871
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC NameN-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide
SMILESO=C(N[C@H](CCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12)C1CCNCC1
InChIInChI=1S/C22H24F3N5O/c23-22(24,25)17-7-9-19-28-29-20(30(19)14-17)18(8-6-15-4-2-1-3-5-15)27-21(31)16-10-12-26-13-11-16/h1-5,7,9,14,16,18,26H,6,8,10-13H2,(H,27,31)/t18-/m1/s1
InChIKeyINPBZORBWHIUKS-GOSISDBHSA-N
XLogP3.54
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide (CID 58783871) is N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide is O=C(N[C@H](CCc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12)C1CCNCC1.
What is the InChIKey of N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide?
The InChIKey is INPBZORBWHIUKS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24F3N5O/c23-22(24,25)17-7-9-19-28-29-20(30(19)14-17)18(8-6-15-4-2-1-3-5-15)27-21(31)16-10-12-26-13-11-16/h1-5,7,9,14,16,18,26H,6,8,10-13H2,(H,27,31)/t18-/m1/s1.
What are the key properties of N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide?
N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 58783871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).