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

C17H15F2N7O — CID 134229536

IUPAC6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(N2CCC(F)(F)C2)n1
InChIInChI=1S/C17H15F2N7O/c1-9-12(13(21)14-15(22-9)25-27-24-14)6-11-3-2-10(7-20)16(23-11)26-5-4-17(18,19)8-26/h2-3H,4-6,8,21H2,1H3
InChIKeyNFHVGYJWIVOAAO-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.21
Rot. Bonds3

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

6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile (PubChem CID 134229536) has the molecular formula C17H15F2N7O and a molecular weight of 371.35 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-difluoropyrrolidin-1-yl)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-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile
PubChem CID134229536
Molecular FormulaC17H15F2N7O
Molecular Weight371.35 g/mol
Exact Mass371.13
IUPAC Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(N2CCC(F)(F)C2)n1
InChIInChI=1S/C17H15F2N7O/c1-9-12(13(21)14-15(22-9)25-27-24-14)6-11-3-2-10(7-20)16(23-11)26-5-4-17(18,19)8-26/h2-3H,4-6,8,21H2,1H3
InChIKeyNFHVGYJWIVOAAO-UHFFFAOYSA-N
XLogP2.21
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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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]-2-(3,3-difluoropyrrolidin-1-yl)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-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile (CID 134229536) is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropyrrolidin-1-yl)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-difluoropyrrolidin-1-yl)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-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(N2CCC(F)(F)C2)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-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is NFHVGYJWIVOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O/c1-9-12(13(21)14-15(22-9)25-27-24-14)6-11-3-2-10(7-20)16(23-11)26-5-4-17(18,19)8-26/h2-3H,4-6,8,21H2,1H3.
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-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile?
6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 371.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 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-difluoropyrrolidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 134229536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).