2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C21H20FN5O2 — CID 171398566

IUPAC2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(F)cccc1Nc1c(-c2ccnc3c2CCN3)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C21H20FN5O2/c1-29-19-13(22)3-2-4-15(19)27-18-16-14(7-10-25-21(16)28)26-17(18)11-5-8-23-20-12(11)6-9-24-20/h2-5,8,26-27H,6-7,9-10H2,1H3,(H,23,24)(H,25,28)
InChIKeyBUODYPLBQJPIIM-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.22
Rot. Bonds4

About 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 171398566) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID171398566
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(F)cccc1Nc1c(-c2ccnc3c2CCN3)[nH]c2c1C(=O)NCC2
InChIInChI=1S/C21H20FN5O2/c1-29-19-13(22)3-2-4-15(19)27-18-16-14(7-10-25-21(16)28)26-17(18)11-5-8-23-20-12(11)6-9-24-20/h2-5,8,26-27H,6-7,9-10H2,1H3,(H,23,24)(H,25,28)
InChIKeyBUODYPLBQJPIIM-UHFFFAOYSA-N
XLogP3.22
TPSA91.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

3-(3-fluoro-2-methoxyanilino)-2-(2-phenyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163249962
3-(3-fluoro-2-methoxyanilino)-2-[6-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398721
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
2-[2-amino-3-[[(2S)-oxolan-2-yl]methoxy]-4-pyridinyl]-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163279874
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-(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
2-[2-amino-3-(2-methoxyethoxy)-4-pyridinyl]-3-(3-fluoro-2-methylanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163279881
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
tert-butyl N-[4-[4-[3-(3-fluoro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]-2-methylbut-3-yn-2-yl]carbamate
CID 163223708
3-(3-fluoro-2-methoxyanilino)-2-[3-[[(Z)-6-hydroxy-4-methylhex-3-enyl]amino]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 169253066
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-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane
CID 163224470

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 171398566) is 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1c(F)cccc1Nc1c(-c2ccnc3c2CCN3)[nH]c2c1C(=O)NCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is BUODYPLBQJPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-29-19-13(22)3-2-4-15(19)27-18-16-14(7-10-25-21(16)28)26-17(18)11-5-8-23-20-12(11)6-9-24-20/h2-5,8,26-27H,6-7,9-10H2,1H3,(H,23,24)(H,25,28).
What are the key properties of 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 393.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 171398566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).