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

C15H16N6O — CID 136628332

IUPAC2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESOc1nc(N2CCNCC2)[nH]c1C=C1C=Nc2ncccc21
InChIInChI=1S/C15H16N6O/c22-14-12(19-15(20-14)21-6-4-16-5-7-21)8-10-9-18-13-11(10)2-1-3-17-13/h1-3,8-9,16,22H,4-7H2,(H,19,20)
InChIKeyLGHJGUYPAFZWDS-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.18
Rot. Bonds2

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

2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (PubChem CID 136628332) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
PubChem CID136628332
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
SMILESOc1nc(N2CCNCC2)[nH]c1C=C1C=Nc2ncccc21
InChIInChI=1S/C15H16N6O/c22-14-12(19-15(20-14)21-6-4-16-5-7-21)8-10-9-18-13-11(10)2-1-3-17-13/h1-3,8-9,16,22H,4-7H2,(H,19,20)
InChIKeyLGHJGUYPAFZWDS-UHFFFAOYSA-N
XLogP1.18
TPSA89.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 159124390
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;dihydrochloride
CID 135712499
2-(4-benzylpiperazin-1-yl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;trihydrochloride
CID 159605531
2-[3-(hydroxymethyl)piperidin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712643
1-[4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-yl]piperidine-3-carboxamide
CID 135712466
2-(furan-2-yl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136627613
2-(propylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135712522
2-(4-methylpiperazin-1-yl)-5-[(5-phenylpyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-imidazol-4-ol
CID 136649248
2-(benzylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;hydrochloride
CID 135950283
2-[[(1S)-1-phenylethyl]amino]-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136611138
2-amino-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135400863
2-(1-adamantylmethylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 161343449

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The IUPAC name of 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol (CID 136628332) is 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol.
What is the SMILES notation for 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The canonical SMILES for 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is Oc1nc(N2CCNCC2)[nH]c1C=C1C=Nc2ncccc21.
What is the InChIKey of 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
The InChIKey is LGHJGUYPAFZWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c22-14-12(19-15(20-14)21-6-4-16-5-7-21)8-10-9-18-13-11(10)2-1-3-17-13/h1-3,8-9,16,22H,4-7H2,(H,19,20).
What are the key properties of 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol?
2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol has a molecular weight of 296.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol is sourced from PubChem (CID 136628332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).