3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide

C15H17F3N6O2 — CID 70705407

IUPAC3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1nnc2cc(C(=O)N[C@@H]3CC[C@H](C(=O)NCC(F)(F)F)C3)cnc21
InChIInChI=1S/C15H17F3N6O2/c1-24-12-11(22-23-24)5-9(6-19-12)14(26)21-10-3-2-8(4-10)13(25)20-7-15(16,17)18/h5-6,8,10H,2-4,7H2,1H3,(H,20,25)(H,21,26)/t8-,10+/m0/s1
InChIKeyGVYMUECZFGIYGA-WCBMZHEXSA-N
MW370.34 g/mol
LogP0.94
Rot. Bonds4

About 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 70705407) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID70705407
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1nnc2cc(C(=O)N[C@@H]3CC[C@H](C(=O)NCC(F)(F)F)C3)cnc21
InChIInChI=1S/C15H17F3N6O2/c1-24-12-11(22-23-24)5-9(6-19-12)14(26)21-10-3-2-8(4-10)13(25)20-7-15(16,17)18/h5-6,8,10H,2-4,7H2,1H3,(H,20,25)(H,21,26)/t8-,10+/m0/s1
InChIKeyGVYMUECZFGIYGA-WCBMZHEXSA-N
XLogP0.94
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide (CID 70705407) is 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide is Cn1nnc2cc(C(=O)N[C@@H]3CC[C@H](C(=O)NCC(F)(F)F)C3)cnc21.
What is the InChIKey of 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is GVYMUECZFGIYGA-WCBMZHEXSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-24-12-11(22-23-24)5-9(6-19-12)14(26)21-10-3-2-8(4-10)13(25)20-7-15(16,17)18/h5-6,8,10H,2-4,7H2,1H3,(H,20,25)(H,21,26)/t8-,10+/m0/s1.
What are the key properties of 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70705407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).