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

C17H19N5O — CID 135712506

IUPAC2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NC2CCCCC2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C17H19N5O/c23-16-14(9-11-10-19-15-13(11)7-4-8-18-15)21-17(22-16)20-12-5-2-1-3-6-12/h4,7-10,12,23H,1-3,5-6H2,(H2,20,21,22)/b11-9+
InChIKeyIMXVTJNVPJKGJO-PKNBQFBNSA-N
MW309.37 g/mol
LogP3.51
Rot. Bonds3

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

2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (PubChem CID 135712506) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
PubChem CID135712506
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol
SMILESOc1nc(NC2CCCCC2)[nH]c1/C=C1\C=Nc2ncccc21
InChIInChI=1S/C17H19N5O/c23-16-14(9-11-10-19-15-13(11)7-4-8-18-15)21-17(22-16)20-12-5-2-1-3-6-12/h4,7-10,12,23H,1-3,5-6H2,(H2,20,21,22)/b11-9+
InChIKeyIMXVTJNVPJKGJO-PKNBQFBNSA-N
XLogP3.51
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The IUPAC name of 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol (CID 135712506) is 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol.
What is the SMILES notation for 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The canonical SMILES for 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is Oc1nc(NC2CCCCC2)[nH]c1/C=C1\C=Nc2ncccc21.
What is the InChIKey of 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
The InChIKey is IMXVTJNVPJKGJO-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H19N5O/c23-16-14(9-11-10-19-15-13(11)7-4-8-18-15)21-17(22-16)20-12-5-2-1-3-6-12/h4,7-10,12,23H,1-3,5-6H2,(H2,20,21,22)/b11-9+.
What are the key properties of 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol?
2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol has a molecular weight of 309.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol is sourced from PubChem (CID 135712506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).