5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H17F2N7 — CID 171552272

IUPAC5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCNc1nc(C)nn2ccc(-c3ccc4nc(C)n(CC(F)F)c4n3)c12
InChIInChI=1S/C17H17F2N7/c1-9-21-16(20-3)15-11(6-7-26(15)24-9)12-4-5-13-17(23-12)25(8-14(18)19)10(2)22-13/h4-7,14H,8H2,1-3H3,(H,20,21,24)
InChIKeyXBAXZYBTYNNRAC-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.06
Rot. Bonds4

About 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 171552272) has the molecular formula C17H17F2N7 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID171552272
Molecular FormulaC17H17F2N7
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCNc1nc(C)nn2ccc(-c3ccc4nc(C)n(CC(F)F)c4n3)c12
InChIInChI=1S/C17H17F2N7/c1-9-21-16(20-3)15-11(6-7-26(15)24-9)12-4-5-13-17(23-12)25(8-14(18)19)10(2)22-13/h4-7,14H,8H2,1-3H3,(H,20,21,24)
InChIKeyXBAXZYBTYNNRAC-UHFFFAOYSA-N
XLogP3.06
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-(3-ethoxycyclobutyl)-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733676
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-4-N-methyl-2-N-(1-oxaspiro[3.5]nonan-7-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551505
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-4-N-methyl-2-N-(2-oxaspiro[3.5]nonan-7-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550951
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[(3R,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551483
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[(4R)-1-ethyl-3,3-difluoropiperidin-4-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551544
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[(3S,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551200
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[(3R)-4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551481
4-[[5-[3-(2-fluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 178000721
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[(3R,4S)-4-fluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551948
(3S)-3-[[4-amino-5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 171551433
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine
CID 171552268
4-amino-5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-methylpyrrolo[2,1-f][1,2,4]triazin-7-ol
CID 171551250

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 171552272) is 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CNc1nc(C)nn2ccc(-c3ccc4nc(C)n(CC(F)F)c4n3)c12.
What is the InChIKey of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XBAXZYBTYNNRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7/c1-9-21-16(20-3)15-11(6-7-26(15)24-9)12-4-5-13-17(23-12)25(8-14(18)19)10(2)22-13/h4-7,14H,8H2,1-3H3,(H,20,21,24).
What are the key properties of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 357.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N,2-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 171552272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).