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

C16H15F2N7O — CID 171551250

IUPAC4-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
SMILESCc1nc(N)c2c(-c3ccc4nc(C)n(CC(F)F)c4n3)cc(O)n2n1
InChIInChI=1S/C16H15F2N7O/c1-7-20-15(19)14-9(5-13(26)25(14)23-7)10-3-4-11-16(22-10)24(6-12(17)18)8(2)21-11/h3-5,12,26H,6H2,1-2H3,(H2,19,20,23)
InChIKeyHMXDNGOYNIPADS-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.31
Rot. Bonds3

About 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

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 (PubChem CID 171551250) has the molecular formula C16H15F2N7O and a molecular weight of 359.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID171551250
Molecular FormulaC16H15F2N7O
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name4-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
SMILESCc1nc(N)c2c(-c3ccc4nc(C)n(CC(F)F)c4n3)cc(O)n2n1
InChIInChI=1S/C16H15F2N7O/c1-7-20-15(19)14-9(5-13(26)25(14)23-7)10-3-4-11-16(22-10)24(6-12(17)18)8(2)21-11/h3-5,12,26H,6H2,1-2H3,(H2,19,20,23)
InChIKeyHMXDNGOYNIPADS-UHFFFAOYSA-N
XLogP2.31
TPSA107.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

4-[[4-amino-5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-7-hydroxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexane-1-carbonitrile
CID 171551201
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-7-ol
CID 171550855
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
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
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-ethyl-3,3-difluoropyrrolidine
CID 171550892
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]-2-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551470
7-deuterio-5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]imino-1H-pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 171733927
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-(1-oxaspiro[3.5]nonan-7-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551537
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[1-(3-methyloxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552154
2-N-[(3R,4S)-1-(3,3-difluorocyclobutyl)-3-fluoropiperidin-4-yl]-5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551081

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(N)c2c(-c3ccc4nc(C)n(CC(F)F)c4n3)cc(O)n2n1.
What is the InChIKey of 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?
The InChIKey is HMXDNGOYNIPADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N7O/c1-7-20-15(19)14-9(5-13(26)25(14)23-7)10-3-4-11-16(22-10)24(6-12(17)18)8(2)21-11/h3-5,12,26H,6H2,1-2H3,(H2,19,20,23).
What are the key properties of 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?
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 has a molecular weight of 359.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171551250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).