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

C20H15F2N5O — CID 122507139

IUPAC2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc4c(n3)NCC4)c21
InChIInChI=1S/C20H15F2N5O/c21-11-2-1-3-12(22)17(11)13-8-14(18-15(25-13)9-24-20(18)28)26-16-5-4-10-6-7-23-19(10)27-16/h1-5,8H,6-7,9H2,(H,24,28)(H2,23,25,26,27)
InChIKeyGZSDTLCDPSHJNS-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.38
Rot. Bonds3

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

2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 122507139) 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[2,3-b]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[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID122507139
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc4c(n3)NCC4)c21
InChIInChI=1S/C20H15F2N5O/c21-11-2-1-3-12(22)17(11)13-8-14(18-15(25-13)9-24-20(18)28)26-16-5-4-10-6-7-23-19(10)27-16/h1-5,8H,6-7,9H2,(H,24,28)(H2,23,25,26,27)
InChIKeyGZSDTLCDPSHJNS-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[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190896
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
2-{2-[(cyclohexylmethyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11347930
N-(4-{4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}pyrimidin-2-yl)benzamide
CID 11404817
2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23582519
4H-Pyrrolo[3,2-c]pyridin-4-one, 2-(2-amino-4-pyrimidinyl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-, (7S)-
CID 23582592
2-(2-aminopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585147
2-(2-aminopyrimidin-4-yl)-1-(4,4,4-trifluorobutyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585149
2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585198

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]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[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 122507139) is 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]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[2,3-b]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[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2nc(-c3c(F)cccc3F)cc(Nc3ccc4c(n3)NCC4)c21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is GZSDTLCDPSHJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-11-2-1-3-12(22)17(11)13-8-14(18-15(25-13)9-24-20(18)28)26-16-5-4-10-6-7-23-19(10)27-16/h1-5,8H,6-7,9H2,(H,24,28)(H2,23,25,26,27).
What are the key properties of 2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-pyrrolo[2,3-b]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[2,3-b]pyridin-6-ylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 122507139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).