3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one

C19H14F3N3O2 — CID 129246232

IUPAC3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one
SMILESO=C1COCc2[nH]c(-c3ccncc3C(F)(F)F)c(Nc3ccccc3)c21
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)13-8-23-7-6-12(13)17-18(24-11-4-2-1-3-5-11)16-14(25-17)9-27-10-15(16)26/h1-8,24-25H,9-10H2
InChIKeyCZTNFIXUCJQGDB-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.55
Rot. Bonds3

About 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one

3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one (PubChem CID 129246232) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one
PubChem CID129246232
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one
SMILESO=C1COCc2[nH]c(-c3ccncc3C(F)(F)F)c(Nc3ccccc3)c21
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)13-8-23-7-6-12(13)17-18(24-11-4-2-1-3-5-11)16-14(25-17)9-27-10-15(16)26/h1-8,24-25H,9-10H2
InChIKeyCZTNFIXUCJQGDB-UHFFFAOYSA-N
XLogP4.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
CID 118607239
3-anilino-2-(3-bromo-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 118607035
methyl 3-anilino-4-oxo-2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxylate
CID 129246424
N-[4-(3-anilino-4-oxo-1,7-dihydropyrano[3,4-b]pyrrol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
CID 129246485
3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582015
3-anilino-2-(3-methoxy-4-pyridinyl)-6-propan-2-ylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246285
3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one
CID 129246322
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methylsulfonyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129246903
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-methylsulfinyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 162605846
(1S,8R)-5-anilino-4-(3-fluoro-4-pyridinyl)-9,9-dimethyl-3-azatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one
CID 126520424
methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate
CID 134575266
3-anilino-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-sulfonamide
CID 129246644

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one?
The IUPAC name of 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one (CID 129246232) is 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one.
What is the SMILES notation for 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one?
The canonical SMILES for 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one is O=C1COCc2[nH]c(-c3ccncc3C(F)(F)F)c(Nc3ccccc3)c21.
What is the InChIKey of 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one?
The InChIKey is CZTNFIXUCJQGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)13-8-23-7-6-12(13)17-18(24-11-4-2-1-3-5-11)16-14(25-17)9-27-10-15(16)26/h1-8,24-25H,9-10H2.
What are the key properties of 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one?
3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one has a molecular weight of 373.33 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-[3-(trifluoromethyl)-4-pyridinyl]-1,7-dihydropyrano[3,4-b]pyrrol-4-one is sourced from PubChem (CID 129246232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).