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

C24H16ClF4N9O2 — CID 164560007

IUPAC3-[[7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(-n2cc(C(F)(F)F)cc(Nc3nc4ncc(Oc5cnn6cc(F)ccc56)c(Cl)c4n3C)c2=O)cn1
InChIInChI=1S/C24H16ClF4N9O2/c1-35-11-14(6-31-35)37-9-12(24(27,28)29)5-15(22(37)39)33-23-34-21-20(36(23)2)19(25)18(7-30-21)40-17-8-32-38-10-13(26)3-4-16(17)38/h3-11H,1-2H3,(H,30,33,34)
InChIKeyFWMNTCWHOYRQMV-UHFFFAOYSA-N
MW573.90 g/mol
LogP4.85
Rot. Bonds5

About 3-[[7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164560007) has the molecular formula C24H16ClF4N9O2 and a molecular weight of 573.90 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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID164560007
Molecular FormulaC24H16ClF4N9O2
Molecular Weight573.90 g/mol
Exact Mass573.11
IUPAC Name3-[[7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(-n2cc(C(F)(F)F)cc(Nc3nc4ncc(Oc5cnn6cc(F)ccc56)c(Cl)c4n3C)c2=O)cn1
InChIInChI=1S/C24H16ClF4N9O2/c1-35-11-14(6-31-35)37-9-12(24(27,28)29)5-15(22(37)39)33-23-34-21-20(36(23)2)19(25)18(7-30-21)40-17-8-32-38-10-13(26)3-4-16(17)38/h3-11H,1-2H3,(H,30,33,34)
InChIKeyFWMNTCWHOYRQMV-UHFFFAOYSA-N
XLogP4.85
TPSA109.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[[7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one (CID 164560007) is 3-[[7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one is Cn1cc(-n2cc(C(F)(F)F)cc(Nc3nc4ncc(Oc5cnn6cc(F)ccc56)c(Cl)c4n3C)c2=O)cn1.
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-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is FWMNTCWHOYRQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF4N9O2/c1-35-11-14(6-31-35)37-9-12(24(27,28)29)5-15(22(37)39)33-23-34-21-20(36(23)2)19(25)18(7-30-21)40-17-8-32-38-10-13(26)3-4-16(17)38/h3-11H,1-2H3,(H,30,33,34).
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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 573.90 g/mol, XLogP of 4.85, 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-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164560007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).