7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

C19H21F3N6O2 — CID 53372790

IUPAC7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCOc1cc(NCC2CCNCC2)nc2c1nnn2-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)
InChIKeyZJDHFPFSTLUYKA-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.13
Rot. Bonds6

About 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 53372790) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID53372790
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESCOc1cc(NCC2CCNCC2)nc2c1nnn2-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25)
InChIKeyZJDHFPFSTLUYKA-UHFFFAOYSA-N
XLogP3.13
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 53372790) is 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is COc1cc(NCC2CCNCC2)nc2c1nnn2-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ZJDHFPFSTLUYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c1-29-15-10-16(24-11-12-5-7-23-8-6-12)25-18-17(15)26-27-28(18)13-3-2-4-14(9-13)30-19(20,21)22/h2-4,9-10,12,23H,5-8,11H2,1H3,(H,24,25).
What are the key properties of 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 422.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 53372790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).