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

C20H13F5N4O3 — CID 155595410

IUPAC2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2ccnc(-c3ccncc3OCC(F)(F)F)c2CN1c1ccc(OC(F)F)cn1
InChIInChI=1S/C20H13F5N4O3/c21-19(22)32-11-1-2-16(28-7-11)29-9-14-12(18(29)30)4-6-27-17(14)13-3-5-26-8-15(13)31-10-20(23,24)25/h1-8,19H,9-10H2
InChIKeyVIEGPLQVMJXXMW-UHFFFAOYSA-N
MW452.34 g/mol
LogP4.24
Rot. Bonds6

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

2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 155595410) has the molecular formula C20H13F5N4O3 and a molecular weight of 452.34 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID155595410
Molecular FormulaC20H13F5N4O3
Molecular Weight452.34 g/mol
Exact Mass452.09
IUPAC Name2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2ccnc(-c3ccncc3OCC(F)(F)F)c2CN1c1ccc(OC(F)F)cn1
InChIInChI=1S/C20H13F5N4O3/c21-19(22)32-11-1-2-16(28-7-11)29-9-14-12(18(29)30)4-6-27-17(14)13-3-5-26-8-15(13)31-10-20(23,24)25/h1-8,19H,9-10H2
InChIKeyVIEGPLQVMJXXMW-UHFFFAOYSA-N
XLogP4.24
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
4-[2-(difluoromethoxy)-4-fluorophenyl]-2-[5-(difluoromethoxy)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405396
4-[2-(difluoromethoxy)phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405492
2-[5-(1-hydroxycyclopropyl)-2-pyridinyl]-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595447
4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405336
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-[2-(2,2,2-trifluoroethoxy)phenyl]-2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595364
4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[4-(methoxymethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405548
3-[2-[2-[6-(difluoromethoxy)-3-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-5-fluorophenoxy]-2,2-dimethylpropanenitrile
CID 163405480
2-[4-(difluoromethoxy)phenyl]-4-[4-fluoro-2-[(3-fluorooxetan-3-yl)methoxy]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405463
2-[4-(difluoromethylsulfonyl)phenyl]-4-[2-methyl-6-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 155595260
4-[4,5-difluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405549

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 155595410) is 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is O=C1c2ccnc(-c3ccncc3OCC(F)(F)F)c2CN1c1ccc(OC(F)F)cn1.
What is the InChIKey of 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is VIEGPLQVMJXXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O3/c21-19(22)32-11-1-2-16(28-7-11)29-9-14-12(18(29)30)4-6-27-17(14)13-3-5-26-8-15(13)31-10-20(23,24)25/h1-8,19H,9-10H2.
What are the key properties of 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 452.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-2-pyridinyl]-4-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 155595410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).