6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine

C27H28ClF4N9O — CID 164559638

IUPAC6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine
SMILESCN(C)C1CCN(Cc2cc(C(F)(F)F)cc(Nc3nc4ncc(O/C(=C/N)c5cnccn5)c(Cl)c4n3C)c2F)C1
InChIInChI=1S/C27H28ClF4N9O/c1-39(2)17-4-7-41(14-17)13-15-8-16(27(30,31)32)9-18(23(15)29)37-26-38-25-24(40(26)3)22(28)21(12-36-25)42-20(10-33)19-11-34-5-6-35-19/h5-6,8-12,17H,4,7,13-14,33H2,1-3H3,(H,36,37,38)/b20-10+
InChIKeyNGLAUOIHBUNFTI-KEBDBYFISA-N
MW606.03 g/mol
LogP4.79
Rot. Bonds8

About 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine

6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 164559638) has the molecular formula C27H28ClF4N9O and a molecular weight of 606.03 g/mol. Its IUPAC name is 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID164559638
Molecular FormulaC27H28ClF4N9O
Molecular Weight606.03 g/mol
Exact Mass605.20
IUPAC Name6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine
SMILESCN(C)C1CCN(Cc2cc(C(F)(F)F)cc(Nc3nc4ncc(O/C(=C/N)c5cnccn5)c(Cl)c4n3C)c2F)C1
InChIInChI=1S/C27H28ClF4N9O/c1-39(2)17-4-7-41(14-17)13-15-8-16(27(30,31)32)9-18(23(15)29)37-26-38-25-24(40(26)3)22(28)21(12-36-25)42-20(10-33)19-11-34-5-6-35-19/h5-6,8-12,17H,4,7,13-14,33H2,1-3H3,(H,36,37,38)/b20-10+
InChIKeyNGLAUOIHBUNFTI-KEBDBYFISA-N
XLogP4.79
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.03
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-(2-amino-1-pyrazin-2-ylethenoxy)-7-chloro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 174018922
6-(2-amino-1-pyrazin-2-ylethenoxy)-7-chloro-N-[3-[(3,3-difluoropyrrolidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine
CID 164559692
1-[[3-[[6-[(E)-2-amino-1-[3-(methylamino)pyrazin-2-yl]ethenoxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 164558813
1-[3-[3-[[6-(2-amino-1-pyrazin-2-ylethenoxy)-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-tert-butylpyrazol-1-yl]azetidin-1-yl]ethanone
CID 174018703
3-[[6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-cyclopropyl-5-(trifluoromethyl)pyridin-2-one
CID 164558907
6-(2-amino-1-pyrazin-2-ylethenoxy)-N-[5-tert-butyl-1-(4-oxaspiro[2.4]heptan-7-yl)pyrazol-3-yl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine
CID 164558980
3-[[6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-1,7-dimethylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
CID 164559978
3-[[6-(2-amino-1-pyrazin-2-ylethenoxy)-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-5-cyclopropyl-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 174018695
N-[5-[2-amino-1-[7-chloro-1-methyl-2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxyethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
CID 174018739
6-[2-amino-1-[3-(methylamino)pyrazin-2-yl]ethenoxy]-7-chloro-N-[4-[(3-fluoroazetidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine
CID 174018772
6-[(E)-2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine
CID 164559240
6-[2-amino-1-(3-chloropyrazin-2-yl)ethenoxy]-N-[3-(azetidin-3-yloxy)-5-(trifluoromethyl)phenyl]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-amine
CID 164560037

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine (CID 164559638) is 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine is CN(C)C1CCN(Cc2cc(C(F)(F)F)cc(Nc3nc4ncc(O/C(=C/N)c5cnccn5)c(Cl)c4n3C)c2F)C1.
What is the InChIKey of 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is NGLAUOIHBUNFTI-KEBDBYFISA-N. The full InChI is InChI=1S/C27H28ClF4N9O/c1-39(2)17-4-7-41(14-17)13-15-8-16(27(30,31)32)9-18(23(15)29)37-26-38-25-24(40(26)3)22(28)21(12-36-25)42-20(10-33)19-11-34-5-6-35-19/h5-6,8-12,17H,4,7,13-14,33H2,1-3H3,(H,36,37,38)/b20-10+.
What are the key properties of 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine?
6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 606.03 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-amino-1-pyrazin-2-ylethenoxy]-7-chloro-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-1-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 164559638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).