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

C15H17Cl2N5O2 — CID 159124390

IUPAC2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
SMILESCl.Cl.Oc1nc(N2CCOCC2)[nH]c1C=C1C=Nc2ncccc21
InChIInChI=1S/C15H15N5O2.2ClH/c21-14-12(18-15(19-14)20-4-6-22-7-5-20)8-10-9-17-13-11(10)2-1-3-16-13;;/h1-3,8-9,21H,4-7H2,(H,18,19);2*1H
InChIKeyUMHQXJYXZZRIAK-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.45
Rot. Bonds2

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

2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride (PubChem CID 159124390) has the molecular formula C15H17Cl2N5O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
PubChem CID159124390
Molecular FormulaC15H17Cl2N5O2
Molecular Weight370.24 g/mol
Exact Mass369.08
IUPAC Name2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
SMILESCl.Cl.Oc1nc(N2CCOCC2)[nH]c1C=C1C=Nc2ncccc21
InChIInChI=1S/C15H15N5O2.2ClH/c21-14-12(18-15(19-14)20-4-6-22-7-5-20)8-10-9-17-13-11(10)2-1-3-16-13;;/h1-3,8-9,21H,4-7H2,(H,18,19);2*1H
InChIKeyUMHQXJYXZZRIAK-UHFFFAOYSA-N
XLogP2.45
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;dihydrochloride
CID 135712650
[4-[4-hydroxy-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-2-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136642184
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-phenyl-5-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
CID 135463519
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-(3-methylphenyl)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol
CID 136591216
2-(1-adamantylmethylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride
CID 161343449
ethyl 4-hydroxy-2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate
CID 137071514

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride?
The IUPAC name of 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride (CID 159124390) is 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride?
The canonical SMILES for 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride is Cl.Cl.Oc1nc(N2CCOCC2)[nH]c1C=C1C=Nc2ncccc21.
What is the InChIKey of 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride?
The InChIKey is UMHQXJYXZZRIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.2ClH/c21-14-12(18-15(19-14)20-4-6-22-7-5-20)8-10-9-17-13-11(10)2-1-3-16-13;;/h1-3,8-9,21H,4-7H2,(H,18,19);2*1H.
What are the key properties of 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride?
2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride has a molecular weight of 370.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-1H-imidazol-4-ol;dihydrochloride is sourced from PubChem (CID 159124390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).