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

C19H14FN3O2 — CID 163405459

IUPAC2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccnc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C19H14FN3O2/c1-25-16-3-2-9-21-18(16)17-15-11-23(13-6-4-12(20)5-7-13)19(24)14(15)8-10-22-17/h2-10H,11H2,1H3
InChIKeyQITNLDIGDILQTI-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.45
Rot. Bonds3

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

2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 163405459) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID163405459
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccnc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C19H14FN3O2/c1-25-16-3-2-9-21-18(16)17-15-11-23(13-6-4-12(20)5-7-13)19(24)14(15)8-10-22-17/h2-10H,11H2,1H3
InChIKeyQITNLDIGDILQTI-UHFFFAOYSA-N
XLogP3.45
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-2-(4-fluorophenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405538
4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-[4-(methoxymethyl)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405548
2-[6-(2,5-dihydropyrrol-1-yl)-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452402
tert-butyl 4-[2-[2-(4-fluorophenyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]piperazine-1-carboxylate
CID 155595378
4-(2-fluoro-6-methoxyphenyl)-2-[6-[(1S,3R)-3-hydroxycyclopentyl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452240
2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-(2-fluoro-6-methoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452365
4-[4-(azetidine-1-carbonyl)-2-methoxyphenyl]-2-[4-(difluoromethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405434
4-(2-fluoro-6-methoxyphenyl)-2-[4-methyl-6-(3-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 175365711
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-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452352
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452438
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-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 163405459) is 2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccnc1-c1nccc2c1CN(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is QITNLDIGDILQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-25-16-3-2-9-21-18(16)17-15-11-23(13-6-4-12(20)5-7-13)19(24)14(15)8-10-22-17/h2-10H,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 335.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(3-methoxy-2-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 163405459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).