4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C22H14F3N5O2 — CID 73335316

IUPAC4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c1ccnc2-c1cc(-c2cc(F)cc(OC(F)F)c2)n(-c2cccnc2)n1
InChIInChI=1S/C22H14F3N5O2/c23-13-6-12(7-15(8-13)32-22(24)25)19-9-18(29-30(19)14-2-1-4-26-10-14)20-17-11-28-21(31)16(17)3-5-27-20/h1-10,22H,11H2,(H,28,31)
InChIKeyQZGOAEIUPFWTPM-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.98
Rot. Bonds5

About 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 73335316) has the molecular formula C22H14F3N5O2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID73335316
Molecular FormulaC22H14F3N5O2
Molecular Weight437.38 g/mol
Exact Mass437.11
IUPAC Name4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c1ccnc2-c1cc(-c2cc(F)cc(OC(F)F)c2)n(-c2cccnc2)n1
InChIInChI=1S/C22H14F3N5O2/c23-13-6-12(7-15(8-13)32-22(24)25)19-9-18(29-30(19)14-2-1-4-26-10-14)20-17-11-28-21(31)16(17)3-5-27-20/h1-10,22H,11H2,(H,28,31)
InChIKeyQZGOAEIUPFWTPM-UHFFFAOYSA-N
XLogP3.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 73335316) is 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is O=C1NCc2c1ccnc2-c1cc(-c2cc(F)cc(OC(F)F)c2)n(-c2cccnc2)n1.
What is the InChIKey of 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is QZGOAEIUPFWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O2/c23-13-6-12(7-15(8-13)32-22(24)25)19-9-18(29-30(19)14-2-1-4-26-10-14)20-17-11-28-21(31)16(17)3-5-27-20/h1-10,22H,11H2,(H,28,31).
What are the key properties of 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 437.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(difluoromethoxy)-5-fluorophenyl]-1-pyridin-3-ylpyrazol-3-yl]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 73335316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).