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

C23H19FN6O2 — CID 137031083

IUPAC3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(Nc2ccc(N3CCOCC3)cn2)c2c(O)[nH]cc2n1
InChIInChI=1S/C23H19FN6O2/c24-16-3-1-2-14(11-25)21(16)17-10-18(22-19(28-17)13-27-23(22)31)29-20-5-4-15(12-26-20)30-6-8-32-9-7-30/h1-5,10,12-13,27,31H,6-9H2,(H,26,29)
InChIKeyYGHLRFONZZADME-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.92
Rot. Bonds4

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

3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile (PubChem CID 137031083) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile
PubChem CID137031083
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(Nc2ccc(N3CCOCC3)cn2)c2c(O)[nH]cc2n1
InChIInChI=1S/C23H19FN6O2/c24-16-3-1-2-14(11-25)21(16)17-10-18(22-19(28-17)13-27-23(22)31)29-20-5-4-15(12-26-20)30-6-8-32-9-7-30/h1-5,10,12-13,27,31H,6-9H2,(H,26,29)
InChIKeyYGHLRFONZZADME-UHFFFAOYSA-N
XLogP3.92
TPSA110.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

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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
4-(4-fluorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155810146
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-[4-hydroxy-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]phenyl]benzonitrile
CID 87984885
3-fluoro-2-[4-(N-[6-(hydroxymethyl)pyrimidin-4-yl]anilino)-1H-imidazo[4,5-c]pyridin-2-yl]benzonitrile
CID 89464921
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
4-fluoro-3-[[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136409934
6-fluoro-3-[[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136409952

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The IUPAC name of 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile (CID 137031083) is 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The canonical SMILES for 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile is N#Cc1cccc(F)c1-c1cc(Nc2ccc(N3CCOCC3)cn2)c2c(O)[nH]cc2n1.
What is the InChIKey of 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
The InChIKey is YGHLRFONZZADME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c24-16-3-1-2-14(11-25)21(16)17-10-18(22-19(28-17)13-27-23(22)31)29-20-5-4-15(12-26-20)30-6-8-32-9-7-30/h1-5,10,12-13,27,31H,6-9H2,(H,26,29).
What are the key properties of 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile?
3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile has a molecular weight of 430.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[5-hydroxy-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 137031083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).