3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C23H24F3N5O3 — CID 142566439

IUPAC3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCN(C)CCOc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1OC(F)F)C(=O)NCC2
InChIInChI=1S/C23H24F3N5O3/c1-31(2)10-11-33-17-12-27-8-6-13(17)19-20(18-15(29-19)7-9-28-22(18)32)30-16-5-3-4-14(24)21(16)34-23(25)26/h3-6,8,12,23,29-30H,7,9-11H2,1-2H3,(H,28,32)
InChIKeyBNROSJWCLRDRKU-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.79
Rot. Bonds9

About 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142566439) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142566439
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCN(C)CCOc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1OC(F)F)C(=O)NCC2
InChIInChI=1S/C23H24F3N5O3/c1-31(2)10-11-33-17-12-27-8-6-13(17)19-20(18-15(29-19)7-9-28-22(18)32)30-16-5-3-4-14(24)21(16)34-23(25)26/h3-6,8,12,23,29-30H,7,9-11H2,1-2H3,(H,28,32)
InChIKeyBNROSJWCLRDRKU-UHFFFAOYSA-N
XLogP3.79
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 142566479
3-(3-chloro-2-methylanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155246519
3-(3-fluoro-2-methoxyanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 150618680
3-(3-fluoro-2-methoxyanilino)-2-[3-[(E)-pent-3-enoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methanol
CID 163292316
3-[3-chloro-2-(difluoromethoxy)anilino]-2-[3-[[(2S)-2-methyloxetan-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155714446
2-[3-[[(2R)-azetidin-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 155241029
3-[2-(2,2-difluoroethyl)anilino]-2-[3-(2-methoxyethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 142566526
tert-butyl N-[2-[[4-[3-(3-fluoro-2-methylanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]carbamate
CID 163298554
3-(3-chloro-2-methoxyanilino)-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 167071166
(E)-N-[2-[[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxy]ethyl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 163298548
3-(3-fluoro-2-methoxyanilino)-2-(3-methoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1-propylpyrrolidine
CID 169252887
2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-3-(3-fluoroanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 122442120

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142566439) is 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CN(C)CCOc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1OC(F)F)C(=O)NCC2.
What is the InChIKey of 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is BNROSJWCLRDRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-31(2)10-11-33-17-12-27-8-6-13(17)19-20(18-15(29-19)7-9-28-22(18)32)30-16-5-3-4-14(24)21(16)34-23(25)26/h3-6,8,12,23,29-30H,7,9-11H2,1-2H3,(H,28,32).
What are the key properties of 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 475.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-3-fluoroanilino]-2-[3-[2-(dimethylamino)ethoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142566439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).