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

C17H14F3N7O — CID 134229472

IUPAC5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1cccc(-c2cn(C)nc2C(F)(F)F)n1
InChIInChI=1S/C17H14F3N7O/c1-8-10(13(21)14-16(22-8)26-28-25-14)6-9-4-3-5-12(23-9)11-7-27(2)24-15(11)17(18,19)20/h3-5,7H,6,21H2,1-2H3
InChIKeyCYQSYMICKBSNSU-UHFFFAOYSA-N
MW389.34 g/mol
LogP2.91
Rot. Bonds3

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

5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229472) has the molecular formula C17H14F3N7O and a molecular weight of 389.34 g/mol. Its IUPAC name is 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229472
Molecular FormulaC17H14F3N7O
Molecular Weight389.34 g/mol
Exact Mass389.12
IUPAC Name5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1cccc(-c2cn(C)nc2C(F)(F)F)n1
InChIInChI=1S/C17H14F3N7O/c1-8-10(13(21)14-16(22-8)26-28-25-14)6-9-4-3-5-12(23-9)11-7-27(2)24-15(11)17(18,19)20/h3-5,7H,6,21H2,1-2H3
InChIKeyCYQSYMICKBSNSU-UHFFFAOYSA-N
XLogP2.91
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229472) is 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1cccc(-c2cn(C)nc2C(F)(F)F)n1.
What is the InChIKey of 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is CYQSYMICKBSNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7O/c1-8-10(13(21)14-16(22-8)26-28-25-14)6-9-4-3-5-12(23-9)11-7-27(2)24-15(11)17(18,19)20/h3-5,7H,6,21H2,1-2H3.
What are the key properties of 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 389.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).