N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine

C17H18F3N7 — CID 57391627

IUPACN-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)c1cc(-n2nnc3ccc(NCC4CCNCC4)nc32)ccn1
InChIInChI=1S/C17H18F3N7/c18-17(19,20)14-9-12(5-8-22-14)27-16-13(25-26-27)1-2-15(24-16)23-10-11-3-6-21-7-4-11/h1-2,5,8-9,11,21H,3-4,6-7,10H2,(H,23,24)
InChIKeyVJJXIBANMFZPNE-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.64
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine

N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 57391627) has the molecular formula C17H18F3N7 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID57391627
Molecular FormulaC17H18F3N7
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC NameN-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)c1cc(-n2nnc3ccc(NCC4CCNCC4)nc32)ccn1
InChIInChI=1S/C17H18F3N7/c18-17(19,20)14-9-12(5-8-22-14)27-16-13(25-26-27)1-2-15(24-16)23-10-11-3-6-21-7-4-11/h1-2,5,8-9,11,21H,3-4,6-7,10H2,(H,23,24)
InChIKeyVJJXIBANMFZPNE-UHFFFAOYSA-N
XLogP2.64
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine (CID 57391627) is N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine is FC(F)(F)c1cc(-n2nnc3ccc(NCC4CCNCC4)nc32)ccn1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is VJJXIBANMFZPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7/c18-17(19,20)14-9-12(5-8-22-14)27-16-13(25-26-27)1-2-15(24-16)23-10-11-3-6-21-7-4-11/h1-2,5,8-9,11,21H,3-4,6-7,10H2,(H,23,24).
What are the key properties of N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine?
N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 377.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-3-[2-(trifluoromethyl)-4-pyridinyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57391627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).