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

C16H15F2N7O — CID 134229473

IUPAC6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCCC(F)F)n1
InChIInChI=1S/C16H15F2N7O/c1-8-11(13(20)14-16(22-8)25-26-24-14)6-10-3-2-9(7-19)15(23-10)21-5-4-12(17)18/h2-3,12H,4-6,20H2,1H3,(H,21,23)
InChIKeyYMBIFQMOVOSRDT-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.43
Rot. Bonds6

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

6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile (PubChem CID 134229473) has the molecular formula C16H15F2N7O and a molecular weight of 359.34 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile
PubChem CID134229473
Molecular FormulaC16H15F2N7O
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCCC(F)F)n1
InChIInChI=1S/C16H15F2N7O/c1-8-11(13(20)14-16(22-8)25-26-24-14)6-10-3-2-9(7-19)15(23-10)21-5-4-12(17)18/h2-3,12H,4-6,20H2,1H3,(H,21,23)
InChIKeyYMBIFQMOVOSRDT-UHFFFAOYSA-N
XLogP2.43
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,3-Dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335840
2-methyl-4-piperidin-1-yl-6-(3,4,5-trifluorophenyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 10596106
2-Methyl-4-piperidino-6-[3-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 10668485
6-(4-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10712643
6-(3,4-difluorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10737532
6-(3-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10783815
2-Methyl-4-piperidino-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
CID 10786956
6-(3,5-Difluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 11793187
US10308667, Example 139
CID 134229508
Dyrk1A-IN-4
CID 135335888
5-Methyl-6-[[3-[6-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
CID 139382201
6-(2-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10497816

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]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile (CID 134229473) is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NCCC(F)F)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile?
The InChIKey is YMBIFQMOVOSRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N7O/c1-8-11(13(20)14-16(22-8)25-26-24-14)6-10-3-2-9(7-19)15(23-10)21-5-4-12(17)18/h2-3,12H,4-6,20H2,1H3,(H,21,23).
What are the key properties of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile?
6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile has a molecular weight of 359.34 g/mol, XLogP of 2.43, 6 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]-2-(3,3-difluoropropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 134229473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).