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

C22H16ClF4N7O3 — CID 164558969

IUPAC3-[[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
SMILESCn1c(Nc2cc(C(F)(F)F)cn(CCO)c2=O)nc2ncc(Oc3cnn4cc(F)ccc34)c(Cl)c21
InChIInChI=1S/C22H16ClF4N7O3/c1-32-18-17(23)16(37-15-8-29-34-10-12(24)2-3-14(15)34)7-28-19(18)31-21(32)30-13-6-11(22(25,26)27)9-33(4-5-35)20(13)36/h2-3,6-10,35H,4-5H2,1H3,(H,28,30,31)
InChIKeyALHXJKNVRRSXDV-UHFFFAOYSA-N
MW537.86 g/mol
LogP4.12
Rot. Bonds6

About 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

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 (PubChem CID 164558969) has the molecular formula C22H16ClF4N7O3 and a molecular weight of 537.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID164558969
Molecular FormulaC22H16ClF4N7O3
Molecular Weight537.86 g/mol
Exact Mass537.09
IUPAC Name3-[[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
SMILESCn1c(Nc2cc(C(F)(F)F)cn(CCO)c2=O)nc2ncc(Oc3cnn4cc(F)ccc34)c(Cl)c21
InChIInChI=1S/C22H16ClF4N7O3/c1-32-18-17(23)16(37-15-8-29-34-10-12(24)2-3-14(15)34)7-28-19(18)31-21(32)30-13-6-11(22(25,26)27)9-33(4-5-35)20(13)36/h2-3,6-10,35H,4-5H2,1H3,(H,28,30,31)
InChIKeyALHXJKNVRRSXDV-UHFFFAOYSA-N
XLogP4.12
TPSA111.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(Nc2cc(C(F)(F)F)cn(CCO)c2=O)nc2ncc(Oc3cnn4cc(F)ccc34)c(Cl)c21.
What is the InChIKey of 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?
The InChIKey is ALHXJKNVRRSXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N7O3/c1-32-18-17(23)16(37-15-8-29-34-10-12(24)2-3-14(15)34)7-28-19(18)31-21(32)30-13-6-11(22(25,26)27)9-33(4-5-35)20(13)36/h2-3,6-10,35H,4-5H2,1H3,(H,28,30,31).
What are the key properties of 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?
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 has a molecular weight of 537.86 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164558969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).