1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone

C18H14F3N3O — CID 155386073

IUPAC1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21)C1CC1
InChIInChI=1S/C18H14F3N3O/c19-14-4-3-11(5-13(14)18(20)21)12-6-16-15(22-7-12)8-23-24(16)9-17(25)10-1-2-10/h3-8,10,18H,1-2,9H2
InChIKeySYSUPFRXXQKIIG-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.15
Rot. Bonds5

About 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone

1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone (PubChem CID 155386073) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
PubChem CID155386073
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21)C1CC1
InChIInChI=1S/C18H14F3N3O/c19-14-4-3-11(5-13(14)18(20)21)12-6-16-15(22-7-12)8-23-24(16)9-17(25)10-1-2-10/h3-8,10,18H,1-2,9H2
InChIKeySYSUPFRXXQKIIG-UHFFFAOYSA-N
XLogP4.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone (CID 155386073) is 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone is O=C(Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The InChIKey is SYSUPFRXXQKIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-14-4-3-11(5-13(14)18(20)21)12-6-16-15(22-7-12)8-23-24(16)9-17(25)10-1-2-10/h3-8,10,18H,1-2,9H2.
What are the key properties of 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone has a molecular weight of 345.32 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 155386073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).