2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile

C23H18F2N6O2 — CID 137031950

IUPAC2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c(F)cccc2F)nc2c[nH]c(O)c2c1Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C23H18F2N6O2/c24-15-2-1-3-16(25)19(15)21-14(10-26)22(20-17(29-21)12-28-23(20)32)30-18-5-4-13(11-27-18)31-6-8-33-9-7-31/h1-5,11-12,28,32H,6-9H2,(H,27,30)
InChIKeyBQVKTIFBEIISAX-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.06
Rot. Bonds4

About 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile

2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 137031950) has the molecular formula C23H18F2N6O2 and a molecular weight of 448.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile
PubChem CID137031950
Molecular FormulaC23H18F2N6O2
Molecular Weight448.43 g/mol
Exact Mass448.15
IUPAC Name2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c(F)cccc2F)nc2c[nH]c(O)c2c1Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C23H18F2N6O2/c24-15-2-1-3-16(25)19(15)21-14(10-26)22(20-17(29-21)12-28-23(20)32)30-18-5-4-13(11-27-18)31-6-8-33-9-7-31/h1-5,11-12,28,32H,6-9H2,(H,27,30)
InChIKeyBQVKTIFBEIISAX-UHFFFAOYSA-N
XLogP4.06
TPSA110.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile with MolForge

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Related Compounds

(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
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
4-(4-fluorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155810146
(1S)-1-[(3R)-3-amino-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-[(1H-pyrrolo[3,2-c]pyridin-6-ylamino)methyl]-3-pyridinyl]piperidin-3-yl]-2,2-difluoroethanol
CID 176734175
3-[7-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42633718
5-[6-(3,6-dihydro-2H-pyran-4-yl)-9-[1-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]purin-2-yl]pyridin-3-ol
CID 44155793
2-amino-5-[5-[2-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)-1H-imidazol-4-yl]pyridin-3-ol
CID 70970694
2-Fluoro-5-[[1-methyl-7-(1-morpholin-4-ylethenyl)pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
CID 89229974
3-[[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136403695
6-fluoro-3-[[4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136403990
5-fluoro-3-[[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136409925

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile (CID 137031950) is 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile is N#Cc1c(-c2c(F)cccc2F)nc2c[nH]c(O)c2c1Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is BQVKTIFBEIISAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O2/c24-15-2-1-3-16(25)19(15)21-14(10-26)22(20-17(29-21)12-28-23(20)32)30-18-5-4-13(11-27-18)31-6-8-33-9-7-31/h1-5,11-12,28,32H,6-9H2,(H,27,30).
What are the key properties of 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile?
2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 448.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 137031950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).