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

C24H14Cl2F3N9O2 — CID 164558772

IUPAC3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1c(Nc2cc(C(F)(F)F)cn(-c3cccnc3)c2=O)nc2ncc(Oc3cnn4ccnc(Cl)c34)c(Cl)c21
InChIInChI=1S/C24H14Cl2F3N9O2/c1-36-19-17(25)15(40-16-10-33-38-6-5-31-20(26)18(16)38)9-32-21(19)35-23(36)34-14-7-12(24(27,28)29)11-37(22(14)39)13-3-2-4-30-8-13/h2-11H,1H3,(H,32,34,35)
InChIKeyLDJLXCBPIQAYMX-UHFFFAOYSA-N
MW588.34 g/mol
LogP5.42
Rot. Bonds5

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

3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164558772) has the molecular formula C24H14Cl2F3N9O2 and a molecular weight of 588.34 g/mol. Its IUPAC name is 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID164558772
Molecular FormulaC24H14Cl2F3N9O2
Molecular Weight588.34 g/mol
Exact Mass587.06
IUPAC Name3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCn1c(Nc2cc(C(F)(F)F)cn(-c3cccnc3)c2=O)nc2ncc(Oc3cnn4ccnc(Cl)c34)c(Cl)c21
InChIInChI=1S/C24H14Cl2F3N9O2/c1-36-19-17(25)15(40-16-10-33-38-6-5-31-20(26)18(16)38)9-32-21(19)35-23(36)34-14-7-12(24(27,28)29)11-37(22(14)39)13-3-2-4-30-8-13/h2-11H,1H3,(H,32,34,35)
InChIKeyLDJLXCBPIQAYMX-UHFFFAOYSA-N
XLogP5.42
TPSA117.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500588.34
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Related Compounds

2-tert-butyl-5-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-3-ethylpyrimidin-4-one
CID 164559641
3-[[7-chloro-1-methyl-6-[4-(methylamino)pyrazolo[1,5-a]pyrazin-3-yl]oxyimidazo[4,5-b]pyridin-2-yl]amino]-1-[(3R)-oxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 164559456
3-[[7-chloro-6-(4-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(3-phenylmethoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-one
CID 164559244
5-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 164560198
3-[[7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 164558969
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
7-chloro-1-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-amine
CID 164559415
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-hydroxyacetamide
CID 168774439
N-[(6E)-6-[1-[7-chloro-1-methyl-2-[[2-oxo-1-pyridin-3-yl-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-iminoethylidene]-1H-pyrazin-1-ium-3-yl]-N-methylcyclopropanecarboxamide
CID 164558603
3-[(7-chloro-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-cyclopropyl-1-methylpyridin-2-one
CID 164559877
1-(2-hydroxycyclobutyl)-3-[(7-methoxy-1-methyl-6-pyrazolo[1,5-a]pyrazin-3-yloxyimidazo[4,5-b]pyridin-2-yl)amino]-5-(trifluoromethyl)pyridin-2-one
CID 164560177
N-[3-[7-chloro-1-methyl-2-[[2-oxo-1-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
CID 164560390

Frequently Asked Questions

What is the IUPAC name of 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one (CID 164558772) is 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one is Cn1c(Nc2cc(C(F)(F)F)cn(-c3cccnc3)c2=O)nc2ncc(Oc3cnn4ccnc(Cl)c34)c(Cl)c21.
What is the InChIKey of 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LDJLXCBPIQAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3N9O2/c1-36-19-17(25)15(40-16-10-33-38-6-5-31-20(26)18(16)38)9-32-21(19)35-23(36)34-14-7-12(24(27,28)29)11-37(22(14)39)13-3-2-4-30-8-13/h2-11H,1H3,(H,32,34,35).
What are the key properties of 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one?
3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 588.34 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164558772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).