2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol

C18H11F3N4O — CID 137023164

IUPAC2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3c(F)cccc3F)cc(Nc3ccc(F)cn3)c12
InChIInChI=1S/C18H11F3N4O/c19-9-4-5-15(22-7-9)25-13-6-12(16-10(20)2-1-3-11(16)21)24-14-8-23-18(26)17(13)14/h1-8,23,26H,(H,22,25)
InChIKeyIUPAPEGZQGYWBN-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.49
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol

2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137023164) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137023164
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3c(F)cccc3F)cc(Nc3ccc(F)cn3)c12
InChIInChI=1S/C18H11F3N4O/c19-9-4-5-15(22-7-9)25-13-6-12(16-10(20)2-1-3-11(16)21)24-14-8-23-18(26)17(13)14/h1-8,23,26H,(H,22,25)
InChIKeyIUPAPEGZQGYWBN-UHFFFAOYSA-N
XLogP4.49
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol with MolForge

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Related Compounds

Meridianin A
CID 10421236
RP107
CID 448912
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
4-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)butan-1-ol
CID 10872508
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 33
CID 135434953
1-[3-(diethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
CID 183279
5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4-methyl-
CID 183280
3-[(E)-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135985503
3-[(E)-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988927
3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462838

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137023164) is 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is Oc1[nH]cc2nc(-c3c(F)cccc3F)cc(Nc3ccc(F)cn3)c12.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is IUPAPEGZQGYWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-9-4-5-15(22-7-9)25-13-6-12(16-10(20)2-1-3-11(16)21)24-14-8-23-18(26)17(13)14/h1-8,23,26H,(H,22,25).
What are the key properties of 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 356.31 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[(5-fluoro-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137023164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).