2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol

C24H19N5O2 — CID 135446691

IUPAC2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCOc1cc(-c2nc3ccccn3c2/N=C/c2cn[nH]c2-c2ccccc2)ccc1O
InChIInChI=1S/C24H19N5O2/c1-31-20-13-17(10-11-19(20)30)23-24(29-12-6-5-9-21(29)27-23)25-14-18-15-26-28-22(18)16-7-3-2-4-8-16/h2-15,30H,1H3,(H,26,28)/b25-14+
InChIKeyVMDKSSAVTNXHFI-AFUMVMLFSA-N
MW409.45 g/mol
LogP4.86
Rot. Bonds5

About 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol

2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 135446691) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID135446691
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCOc1cc(-c2nc3ccccn3c2/N=C/c2cn[nH]c2-c2ccccc2)ccc1O
InChIInChI=1S/C24H19N5O2/c1-31-20-13-17(10-11-19(20)30)23-24(29-12-6-5-9-21(29)27-23)25-14-18-15-26-28-22(18)16-7-3-2-4-8-16/h2-15,30H,1H3,(H,26,28)/b25-14+
InChIKeyVMDKSSAVTNXHFI-AFUMVMLFSA-N
XLogP4.86
TPSA87.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 118009787
CID 118009787
CID 136141525
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CID 3805075
CID 3805075
CID 6538783
CID 6538783
CID 135558907
CID 135558907
CID 136091540
CID 136091540
CID 90928973
CID 90928973
CID 3205757
CID 3205757
CID 3842722
CID 3842722
CID 5309317
CID 5309317
CID 9952136
CID 9952136
CID 24905197
CID 24905197

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol (CID 135446691) is 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol is COc1cc(-c2nc3ccccn3c2/N=C/c2cn[nH]c2-c2ccccc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is VMDKSSAVTNXHFI-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-31-20-13-17(10-11-19(20)30)23-24(29-12-6-5-9-21(29)27-23)25-14-18-15-26-28-22(18)16-7-3-2-4-8-16/h2-15,30H,1H3,(H,26,28)/b25-14+.
What are the key properties of 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol?
2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 409.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[3-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 135446691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).