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

C17H19N5O — CID 135712480

IUPAC2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESCC1CCN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)CC1
InChIInChI=1S/C17H19N5O/c1-11-4-7-22(8-5-11)17-20-14(16(23)21-17)9-12-10-19-15-13(12)3-2-6-18-15/h2-3,6,9-11,23H,4-5,7-8H2,1H3,(H,20,21)/b12-9+
InChIKeyCZLGBPANCTYXQK-FMIVXFBMSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds2

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

2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135712480) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135712480
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESCC1CCN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)CC1
InChIInChI=1S/C17H19N5O/c1-11-4-7-22(8-5-11)17-20-14(16(23)21-17)9-12-10-19-15-13(12)3-2-6-18-15/h2-3,6,9-11,23H,4-5,7-8H2,1H3,(H,20,21)/b12-9+
InChIKeyCZLGBPANCTYXQK-FMIVXFBMSA-N
XLogP3.00
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135712480) is 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is CC1CCN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is CZLGBPANCTYXQK-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-4-7-22(8-5-11)17-20-14(16(23)21-17)9-12-10-19-15-13(12)3-2-6-18-15/h2-3,6,9-11,23H,4-5,7-8H2,1H3,(H,20,21)/b12-9+.
What are the key properties of 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 309.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135712480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).