3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one

C19H15ClF3N7O2 — CID 157042340

IUPAC3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(N)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C19H15ClF3N7O2/c1-29-8-9(19(21,22)23)5-11(17(29)31)27-18-28-16-15(30(18)2)14(20)12(7-26-16)32-10-3-4-25-13(24)6-10/h3-8H,1-2H3,(H2,24,25)(H,26,27,28)
InChIKeyZRYVLMWGKTXIKT-UHFFFAOYSA-N
MW465.82 g/mol
LogP3.85
Rot. Bonds4

About 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one

3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157042340) has the molecular formula C19H15ClF3N7O2 and a molecular weight of 465.82 g/mol. Its IUPAC name is 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID157042340
Molecular FormulaC19H15ClF3N7O2
Molecular Weight465.82 g/mol
Exact Mass465.09
IUPAC Name3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(N)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C19H15ClF3N7O2/c1-29-8-9(19(21,22)23)5-11(17(29)31)27-18-28-16-15(30(18)2)14(20)12(7-26-16)32-10-3-4-25-13(24)6-10/h3-8H,1-2H3,(H2,24,25)(H,26,27,28)
InChIKeyZRYVLMWGKTXIKT-UHFFFAOYSA-N
XLogP3.85
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 157042340) is 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one is Cn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(N)c4)c(Cl)c3n2C)c1=O.
What is the InChIKey of 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZRYVLMWGKTXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N7O2/c1-29-8-9(19(21,22)23)5-11(17(29)31)27-18-28-16-15(30(18)2)14(20)12(7-26-16)32-10-3-4-25-13(24)6-10/h3-8H,1-2H3,(H2,24,25)(H,26,27,28).
What are the key properties of 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 465.82 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(2-amino-4-pyridinyl)oxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157042340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).