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

C22H26F2N8O — CID 171733676

IUPAC5-[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
SMILESCCOC1CC(Nc2nc(NC)c3c(-c4ccc5nc(C)n(CC(F)F)c5n4)ccn3n2)C1
InChIInChI=1S/C22H26F2N8O/c1-4-33-14-9-13(10-14)27-22-29-20(25-3)19-15(7-8-32(19)30-22)16-5-6-17-21(28-16)31(11-18(23)24)12(2)26-17/h5-8,13-14,18H,4,9-11H2,1-3H3,(H2,25,27,29,30)
InChIKeyGWGWDAJMIXLHRM-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.74
Rot. Bonds8

About 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

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 (PubChem CID 171733676) has the molecular formula C22H26F2N8O and a molecular weight of 456.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID171733676
Molecular FormulaC22H26F2N8O
Molecular Weight456.50 g/mol
Exact Mass456.22
IUPAC Name5-[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
SMILESCCOC1CC(Nc2nc(NC)c3c(-c4ccc5nc(C)n(CC(F)F)c5n4)ccn3n2)C1
InChIInChI=1S/C22H26F2N8O/c1-4-33-14-9-13(10-14)27-22-29-20(25-3)19-15(7-8-32(19)30-22)16-5-6-17-21(28-16)31(11-18(23)24)12(2)26-17/h5-8,13-14,18H,4,9-11H2,1-3H3,(H2,25,27,29,30)
InChIKeyGWGWDAJMIXLHRM-UHFFFAOYSA-N
XLogP3.74
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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]-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]-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-[(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
2-[4-[[4-(methylamino)-5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol
CID 178000953
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-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551470
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC1CC(Nc2nc(NC)c3c(-c4ccc5nc(C)n(CC(F)F)c5n4)ccn3n2)C1.
What is the InChIKey of 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?
The InChIKey is GWGWDAJMIXLHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N8O/c1-4-33-14-9-13(10-14)27-22-29-20(25-3)19-15(7-8-32(19)30-22)16-5-6-17-21(28-16)31(11-18(23)24)12(2)26-17/h5-8,13-14,18H,4,9-11H2,1-3H3,(H2,25,27,29,30).
What are the key properties of 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?
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 has a molecular weight of 456.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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]-2-N-(3-ethoxycyclobutyl)-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171733676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).