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

C22H18F3N5O2 — CID 137100562

IUPAC2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3c(F)cccc3F)c(F)c(Nc3ccc(N4CCOCC4)cn3)c12
InChIInChI=1S/C22H18F3N5O2/c23-13-2-1-3-14(24)17(13)20-19(25)21(18-15(28-20)11-27-22(18)31)29-16-5-4-12(10-26-16)30-6-8-32-9-7-30/h1-5,10-11,27,31H,6-9H2,(H,26,29)
InChIKeyGYTSYULMCDJQJI-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.33
Rot. Bonds4

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

2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137100562) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137100562
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESOc1[nH]cc2nc(-c3c(F)cccc3F)c(F)c(Nc3ccc(N4CCOCC4)cn3)c12
InChIInChI=1S/C22H18F3N5O2/c23-13-2-1-3-14(24)17(13)20-19(25)21(18-15(28-20)11-27-22(18)31)29-16-5-4-12(10-26-16)30-6-8-32-9-7-30/h1-5,10-11,27,31H,6-9H2,(H,26,29)
InChIKeyGYTSYULMCDJQJI-UHFFFAOYSA-N
XLogP4.33
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

3-(4-Morpholin-4-yl-7-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
CID 42632991
3-{7-[1-(4-fluorobenzyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl}phenol
CID 42632992
3-(4-morpholino-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenol
CID 42635321
[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]methanol
CID 42635322
(2-(5-fluoro-1H-indol-4-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methanol
CID 53378054
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
2,6-Difluoro-4-[[9-[4-(2-morpholin-4-ylethyl)phenyl]purin-2-yl]amino]phenol
CID 164611094
3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]pentan-2-yl]phenol
CID 118723172
(6-(6-methoxypyridin-3-ylamino)-5-(2-methyl-9H-purin-6-yl)pyridin-3-yl)methanol
CID 49786097
US11420970, Example 144
CID 164850536
6-[(3-Fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol
CID 155545635
4-[8-(1H-indol-2-yl)-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
CID 156013077

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137100562) is 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is Oc1[nH]cc2nc(-c3c(F)cccc3F)c(F)c(Nc3ccc(N4CCOCC4)cn3)c12.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is GYTSYULMCDJQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c23-13-2-1-3-14(24)17(13)20-19(25)21(18-15(28-20)11-27-22(18)31)29-16-5-4-12(10-26-16)30-6-8-32-9-7-30/h1-5,10-11,27,31H,6-9H2,(H,26,29).
What are the key properties of 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 441.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-fluoro-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137100562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).