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

C16H17N5O2 — CID 135712476

IUPAC2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESCC1CN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)CCO1
InChIInChI=1S/C16H17N5O2/c1-10-9-21(5-6-23-10)16-19-13(15(22)20-16)7-11-8-18-14-12(11)3-2-4-17-14/h2-4,7-8,10,22H,5-6,9H2,1H3,(H,19,20)/b11-7+
InChIKeyVROCTMHRPHGSQV-YRNVUSSQSA-N
MW311.35 g/mol
LogP1.99
Rot. Bonds2

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

2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135712476) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135712476
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESCC1CN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)CCO1
InChIInChI=1S/C16H17N5O2/c1-10-9-21(5-6-23-10)16-19-13(15(22)20-16)7-11-8-18-14-12(11)3-2-4-17-14/h2-4,7-8,10,22H,5-6,9H2,1H3,(H,19,20)/b11-7+
InChIKeyVROCTMHRPHGSQV-YRNVUSSQSA-N
XLogP1.99
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135712476) is 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is CC1CN(c2nc(O)c(/C=C3\C=Nc4ncccc43)[nH]2)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is VROCTMHRPHGSQV-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-9-21(5-6-23-10)16-19-13(15(22)20-16)7-11-8-18-14-12(11)3-2-4-17-14/h2-4,7-8,10,22H,5-6,9H2,1H3,(H,19,20)/b11-7+.
What are the key properties of 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 311.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135712476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).