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

C13H13N5O2 — CID 135712512

IUPAC2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOCCNc1nc(O)c(/C=C2\C=Nc3ncccc32)[nH]1
InChIInChI=1S/C13H13N5O2/c19-5-4-15-13-17-10(12(20)18-13)6-8-7-16-11-9(8)2-1-3-14-11/h1-3,6-7,19-20H,4-5H2,(H2,15,17,18)/b8-6+
InChIKeySCBZDIULTTTZDA-SOFGYWHQSA-N
MW271.28 g/mol
LogP1.17
Rot. Bonds4

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

2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135712512) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135712512
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOCCNc1nc(O)c(/C=C2\C=Nc3ncccc32)[nH]1
InChIInChI=1S/C13H13N5O2/c19-5-4-15-13-17-10(12(20)18-13)6-8-7-16-11-9(8)2-1-3-14-11/h1-3,6-7,19-20H,4-5H2,(H2,15,17,18)/b8-6+
InChIKeySCBZDIULTTTZDA-SOFGYWHQSA-N
XLogP1.17
TPSA106.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135712512) is 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is OCCNc1nc(O)c(/C=C2\C=Nc3ncccc32)[nH]1.
What is the InChIKey of 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is SCBZDIULTTTZDA-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H13N5O2/c19-5-4-15-13-17-10(12(20)18-13)6-8-7-16-11-9(8)2-1-3-14-11/h1-3,6-7,19-20H,4-5H2,(H2,15,17,18)/b8-6+.
What are the key properties of 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 271.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135712512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).