5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine

C18H12F3N5O2 — CID 146200645

IUPAC5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine
SMILESCOc1nc2nonc2cc1Nc1ccc(-c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C18H12F3N5O2/c1-27-17-14(8-13-16(24-17)26-28-25-13)23-12-5-2-10(3-6-12)11-4-7-15(22-9-11)18(19,20)21/h2-9,23H,1H3
InChIKeyNLTJIWCOUBLSNY-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.45
Rot. Bonds4

About 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine

5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine (PubChem CID 146200645) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound Name5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine
PubChem CID146200645
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC Name5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine
SMILESCOc1nc2nonc2cc1Nc1ccc(-c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C18H12F3N5O2/c1-27-17-14(8-13-16(24-17)26-28-25-13)23-12-5-2-10(3-6-12)11-4-7-15(22-9-11)18(19,20)21/h2-9,23H,1H3
InChIKeyNLTJIWCOUBLSNY-UHFFFAOYSA-N
XLogP4.45
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine?
The IUPAC name of 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine (CID 146200645) is 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine is COc1nc2nonc2cc1Nc1ccc(-c2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine?
The InChIKey is NLTJIWCOUBLSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c1-27-17-14(8-13-16(24-17)26-28-25-13)23-12-5-2-10(3-6-12)11-4-7-15(22-9-11)18(19,20)21/h2-9,23H,1H3.
What are the key properties of 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine?
5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine has a molecular weight of 387.32 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 146200645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).