2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol

C20H19N5O2 — CID 136652744

IUPAC2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESOCCC(Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c26-10-8-16(13-5-2-1-3-6-13)23-20-24-17(19(27)25-20)11-14-12-22-18-15(14)7-4-9-21-18/h1-7,9,11-12,16,26-27H,8,10H2,(H2,23,24,25)
InChIKeyZRKYORNYWHPZDR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.30
Rot. Bonds6

About 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol

2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (PubChem CID 136652744) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
PubChem CID136652744
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESOCCC(Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c26-10-8-16(13-5-2-1-3-6-13)23-20-24-17(19(27)25-20)11-14-12-22-18-15(14)7-4-9-21-18/h1-7,9,11-12,16,26-27H,8,10H2,(H2,23,24,25)
InChIKeyZRKYORNYWHPZDR-UHFFFAOYSA-N
XLogP3.30
TPSA106.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136611138
2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride
CID 135950283
2-phenyl-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135463519
2-(1-adamantylmethylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 161343449
2-(4-methylphenyl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712611
2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136628332
2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 159124390
5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-2-[[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]-1H-imidazol-4-ol
CID 136500307
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;dihydrochloride
CID 135712650
5-(indazol-5-ylidenemethyl)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-1H-imidazol-4-ol
CID 174105955
5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one
CID 22059933
2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol
CID 136649248

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The IUPAC name of 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (CID 136652744) is 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.
What is the SMILES notation for 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The canonical SMILES for 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is OCCC(Nc1nc(O)c(C=C2C=Nc3ncccc32)[nH]1)c1ccccc1.
What is the InChIKey of 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The InChIKey is ZRKYORNYWHPZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-10-8-16(13-5-2-1-3-6-13)23-20-24-17(19(27)25-20)11-14-12-22-18-15(14)7-4-9-21-18/h1-7,9,11-12,16,26-27H,8,10H2,(H2,23,24,25).
What are the key properties of 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol has a molecular weight of 361.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-1-phenylpropyl)amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is sourced from PubChem (CID 136652744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).