5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C16H12F3N7O — CID 139382201

IUPAC5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C16H12F3N7O/c1-8-9(13(20)14-15(21-8)25-27-24-14)7-26-6-5-11(23-26)10-3-2-4-12(22-10)16(17,18)19/h2-6H,7,20H2,1H3
InChIKeyPEMOKRBTCSJWJN-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.83
Rot. Bonds3

About 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139382201) has the molecular formula C16H12F3N7O and a molecular weight of 375.31 g/mol. Its IUPAC name is 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139382201
Molecular FormulaC16H12F3N7O
Molecular Weight375.31 g/mol
Exact Mass375.11
IUPAC Name5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cn1ccc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C16H12F3N7O/c1-8-9(13(20)14-15(21-8)25-27-24-14)7-26-6-5-11(23-26)10-3-2-4-12(22-10)16(17,18)19/h2-6H,7,20H2,1H3
InChIKeyPEMOKRBTCSJWJN-UHFFFAOYSA-N
XLogP2.83
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139382201) is 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cn1ccc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is PEMOKRBTCSJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7O/c1-8-9(13(20)14-15(21-8)25-27-24-14)7-26-6-5-11(23-26)10-3-2-4-12(22-10)16(17,18)19/h2-6H,7,20H2,1H3.
What are the key properties of 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 375.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139382201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).