6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile

C15H13F2N7O — CID 134229525

IUPAC6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(NCC(F)F)c(C#N)n1
InChIInChI=1S/C15H13F2N7O/c1-7-9(13(19)14-15(21-7)24-25-23-14)4-8-2-3-10(11(5-18)22-8)20-6-12(16)17/h2-3,12,20H,4,6,19H2,1H3
InChIKeyICKITLLBYZLHFH-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.04
Rot. Bonds5

About 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile

6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile (PubChem CID 134229525) has the molecular formula C15H13F2N7O and a molecular weight of 345.31 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile
PubChem CID134229525
Molecular FormulaC15H13F2N7O
Molecular Weight345.31 g/mol
Exact Mass345.11
IUPAC Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(NCC(F)F)c(C#N)n1
InChIInChI=1S/C15H13F2N7O/c1-7-9(13(19)14-15(21-7)24-25-23-14)4-8-2-3-10(11(5-18)22-8)20-6-12(16)17/h2-3,12,20H,4,6,19H2,1H3
InChIKeyICKITLLBYZLHFH-UHFFFAOYSA-N
XLogP2.04
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile (CID 134229525) is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(NCC(F)F)c(C#N)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile?
The InChIKey is ICKITLLBYZLHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N7O/c1-7-9(13(19)14-15(21-7)24-25-23-14)4-8-2-3-10(11(5-18)22-8)20-6-12(16)17/h2-3,12,20H,4,6,19H2,1H3.
What are the key properties of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile?
6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile has a molecular weight of 345.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2,2-difluoroethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 134229525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).