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

C15H14FN7O — CID 134229417

IUPAC6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2-fluoroethylamino)pyridine-2-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(NCCF)c(C#N)n1
InChIInChI=1S/C15H14FN7O/c1-8-10(13(18)14-15(20-8)23-24-22-14)6-9-2-3-11(19-5-4-16)12(7-17)21-9/h2-3,19H,4-6,18H2,1H3
InChIKeyDRPJJKMAKXCLLS-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.75
Rot. Bonds5

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

6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2-fluoroethylamino)pyridine-2-carbonitrile (PubChem CID 134229417) has the molecular formula C15H14FN7O and a molecular weight of 327.32 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2-fluoroethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2-fluoroethylamino)pyridine-2-carbonitrile
PubChem CID134229417
Molecular FormulaC15H14FN7O
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2-fluoroethylamino)pyridine-2-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(NCCF)c(C#N)n1
InChIInChI=1S/C15H14FN7O/c1-8-10(13(18)14-15(20-8)23-24-22-14)6-9-2-3-11(19-5-4-16)12(7-17)21-9/h2-3,19H,4-6,18H2,1H3
InChIKeyDRPJJKMAKXCLLS-UHFFFAOYSA-N
XLogP1.75
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-(2,3-Dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335840
6-(4-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10712643
6-(3-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10783815
US10308667, Example 139
CID 134229508
Dyrk1A-IN-4
CID 135335888
6-(2-Fluoro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10497816
6-(4-Fluoro-benzyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 12078329
3-(13-Oxa-8,10,12,14,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-yl)propanenitrile
CID 122180710
4-[2-Methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335802
4-(2,3-Dimethylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335848
4-[3-(2,2-Difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335870
4-(2-Methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335915

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-fluoroethylamino)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-fluoroethylamino)pyridine-2-carbonitrile (CID 134229417) is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2-fluoroethylamino)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-fluoroethylamino)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-fluoroethylamino)pyridine-2-carbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(NCCF)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-fluoroethylamino)pyridine-2-carbonitrile?
The InChIKey is DRPJJKMAKXCLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O/c1-8-10(13(18)14-15(20-8)23-24-22-14)6-9-2-3-11(19-5-4-16)12(7-17)21-9/h2-3,19H,4-6,18H2,1H3.
What are the key properties of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2-fluoroethylamino)pyridine-2-carbonitrile?
6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(2-fluoroethylamino)pyridine-2-carbonitrile has a molecular weight of 327.32 g/mol, XLogP of 1.75, 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-fluoroethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 134229417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).