2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol

C19H16FN5O — CID 136660575

IUPAC2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESCC(Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O/c1-11(12-4-6-14(20)7-5-12)23-19-24-16(18(26)25-19)9-13-10-22-17-15(13)3-2-8-21-17/h2-11,26H,1H3,(H2,23,24,25)
InChIKeyIXSRKZUZNZQMQE-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.08
Rot. Bonds4

About 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol

2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (PubChem CID 136660575) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
PubChem CID136660575
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESCC(Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O/c1-11(12-4-6-14(20)7-5-12)23-19-24-16(18(26)25-19)9-13-10-22-17-15(13)3-2-8-21-17/h2-11,26H,1H3,(H2,23,24,25)
InChIKeyIXSRKZUZNZQMQE-UHFFFAOYSA-N
XLogP4.08
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol with MolForge

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Related Compounds

2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136652744
2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712510
2-(1-adamantylmethylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 161343449
2-(furan-2-yl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136627613
2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 159124390
2-[3-(hydroxymethyl)piperidin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712643
2-(2,4-difluoroanilino)-4-hydroxy-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylic acid
CID 137195751
4-hydroxy-3-methyl-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-oxazol-2-one
CID 156556197
N-[(3Z)-3-[(4-hydroxy-2-methylsulfanyl-1H-imidazol-5-yl)methylidene]pyrrolo[2,3-b]pyridin-5-yl]acetamide
CID 135950292
1-[4-hydroxy-2-(4-methoxyanilino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-yl]ethanone
CID 161261776
5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol
CID 137195787
4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704565

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (CID 136660575) is 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is CC(Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The InChIKey is IXSRKZUZNZQMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-11(12-4-6-14(20)7-5-12)23-19-24-16(18(26)25-19)9-13-10-22-17-15(13)3-2-8-21-17/h2-11,26H,1H3,(H2,23,24,25).
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol has a molecular weight of 349.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is sourced from PubChem (CID 136660575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).