2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C20H15F2N5O — CID 122507164

IUPAC2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3cc4c(cn3)CCN4)c21
InChIInChI=1S/C20H15F2N5O/c21-11-2-1-3-12(22)18(11)14-6-15(19-16(26-14)9-25-20(19)28)27-17-7-13-10(8-24-17)4-5-23-13/h1-3,6-8,23H,4-5,9H2,(H,25,28)(H,24,26,27)
InChIKeyRGJMMHQLWYUWJC-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.38
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 122507164) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID122507164
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3cc4c(cn3)CCN4)c21
InChIInChI=1S/C20H15F2N5O/c21-11-2-1-3-12(22)18(11)14-6-15(19-16(26-14)9-25-20(19)28)27-17-7-13-10(8-24-17)4-5-23-13/h1-3,6-8,23H,4-5,9H2,(H,25,28)(H,24,26,27)
InChIKeyRGJMMHQLWYUWJC-UHFFFAOYSA-N
XLogP3.38
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 118341436
2-(2,6-difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347888
2-(2,6-difluorophenyl)-4-[[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341755
2-(2,6-difluorophenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341365
2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166987668
2-(2,6-difluorophenyl)-4-[[5-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347783
2-(2,6-difluorophenyl)-4-[[5-[(2R)-2-methylpiperidin-1-yl]-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129065079
2-(2,6-difluorophenyl)-4-[(2,2-dihydroxy-1,3-dihydro-2-benzothiophen-5-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 122507174
2-(2,6-difluorophenyl)-4-[4-(2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 166989018
2-(2,6-difluorophenyl)-4-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 122507194
4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]benzaldehyde;1,4-dimethylpiperidin-4-ol;ethane
CID 144913251
2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347794

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 122507164) is 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3cc4c(cn3)CCN4)c21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is RGJMMHQLWYUWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-11-2-1-3-12(22)18(11)14-6-15(19-16(26-14)9-25-20(19)28)27-17-7-13-10(8-24-17)4-5-23-13/h1-3,6-8,23H,4-5,9H2,(H,25,28)(H,24,26,27).
What are the key properties of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 379.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 122507164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).