6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C13H17F2N5O — CID 139375951

IUPAC6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCC(C(F)F)CC1
InChIInChI=1S/C13H17F2N5O/c1-7-9(10(16)11-13(17-7)19-21-18-11)6-20-4-2-8(3-5-20)12(14)15/h8,12H,2-6,16H2,1H3
InChIKeyJJKCSIDNMJMZAK-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.99
Rot. Bonds3

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

6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139375951) has the molecular formula C13H17F2N5O and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139375951
Molecular FormulaC13H17F2N5O
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCC(C(F)F)CC1
InChIInChI=1S/C13H17F2N5O/c1-7-9(10(16)11-13(17-7)19-21-18-11)6-20-4-2-8(3-5-20)12(14)15/h8,12H,2-6,16H2,1H3
InChIKeyJJKCSIDNMJMZAK-UHFFFAOYSA-N
XLogP1.99
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139375951) is 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1CN1CCC(C(F)F)CC1.
What is the InChIKey of 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is JJKCSIDNMJMZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5O/c1-7-9(10(16)11-13(17-7)19-21-18-11)6-20-4-2-8(3-5-20)12(14)15/h8,12H,2-6,16H2,1H3.
What are the key properties of 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 297.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(difluoromethyl)piperidin-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139375951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).