4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C20H12F5N3O3 — CID 163405396

IUPAC4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2ccnc(-c3ccc(F)cc3OC(F)F)c2CN1c1ccc(OC(F)F)cn1
InChIInChI=1S/C20H12F5N3O3/c21-10-1-3-13(15(7-10)31-20(24)25)17-14-9-28(18(29)12(14)5-6-26-17)16-4-2-11(8-27-16)30-19(22)23/h1-8,19-20H,9H2
InChIKeyCZGVOTSJZSNUAG-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.65
Rot. Bonds6

About 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 163405396) has the molecular formula C20H12F5N3O3 and a molecular weight of 437.32 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID163405396
Molecular FormulaC20H12F5N3O3
Molecular Weight437.32 g/mol
Exact Mass437.08
IUPAC Name4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2ccnc(-c3ccc(F)cc3OC(F)F)c2CN1c1ccc(OC(F)F)cn1
InChIInChI=1S/C20H12F5N3O3/c21-10-1-3-13(15(7-10)31-20(24)25)17-14-9-28(18(29)12(14)5-6-26-17)16-4-2-11(8-27-16)30-19(22)23/h1-8,19-20H,9H2
InChIKeyCZGVOTSJZSNUAG-UHFFFAOYSA-N
XLogP4.65
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(difluoromethoxy)-2-pyridinyl]-4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405524
2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595410
4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405492
2-[4-(difluoromethoxy)phenyl]-4-[4-fluoro-2-[(3-fluorooxetan-3-yl)methoxy]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405463
4-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405538
3-[2-[2-[6-(difluoromethoxy)-3-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-5-fluorophenoxy]-2,2-dimethylpropanenitrile
CID 163405480
4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405336
4-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-2-[4-(difluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405434
2-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595428
4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[4-(methoxymethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405548
2-[5-(1-hydroxycyclopropyl)-2-pyridinyl]-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595447
2-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405532

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 163405396) is 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is O=C1c2ccnc(-c3ccc(F)cc3OC(F)F)c2CN1c1ccc(OC(F)F)cn1.
What is the InChIKey of 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is CZGVOTSJZSNUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N3O3/c21-10-1-3-13(15(7-10)31-20(24)25)17-14-9-28(18(29)12(14)5-6-26-17)16-4-2-11(8-27-16)30-19(22)23/h1-8,19-20H,9H2.
What are the key properties of 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 437.32 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 163405396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).