tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate

C26H30N8O3 — CID 164920909

IUPACtert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate
SMILESCC(=N\C1CN(C(=O)OC(C)(C)C)C1)/C(=N\N)c1cc(OC(C)c2ccccn2)n2c(C#N)cnc2c1
InChIInChI=1S/C26H30N8O3/c1-16(31-19-14-33(15-19)25(35)37-26(3,4)5)24(32-28)18-10-22-30-13-20(12-27)34(22)23(11-18)36-17(2)21-8-6-7-9-29-21/h6-11,13,17,19H,14-15,28H2,1-5H3/b31-16+,32-24+
InChIKeyZSCPMVCMZGODOR-ZRIOLUCESA-N
MW502.58 g/mol
LogP3.48
Rot. Bonds6

About tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate

tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate (PubChem CID 164920909) has the molecular formula C26H30N8O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate
PubChem CID164920909
Molecular FormulaC26H30N8O3
Molecular Weight502.58 g/mol
Exact Mass502.24
IUPAC Nametert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate
SMILESCC(=N\C1CN(C(=O)OC(C)(C)C)C1)/C(=N\N)c1cc(OC(C)c2ccccn2)n2c(C#N)cnc2c1
InChIInChI=1S/C26H30N8O3/c1-16(31-19-14-33(15-19)25(35)37-26(3,4)5)24(32-28)18-10-22-30-13-20(12-27)34(22)23(11-18)36-17(2)21-8-6-7-9-29-21/h6-11,13,17,19H,14-15,28H2,1-5H3/b31-16+,32-24+
InChIKeyZSCPMVCMZGODOR-ZRIOLUCESA-N
XLogP3.48
TPSA143.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate (CID 164920909) is tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate is CC(=N\C1CN(C(=O)OC(C)(C)C)C1)/C(=N\N)c1cc(OC(C)c2ccccn2)n2c(C#N)cnc2c1.
What is the InChIKey of tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate?
The InChIKey is ZSCPMVCMZGODOR-ZRIOLUCESA-N. The full InChI is InChI=1S/C26H30N8O3/c1-16(31-19-14-33(15-19)25(35)37-26(3,4)5)24(32-28)18-10-22-30-13-20(12-27)34(22)23(11-18)36-17(2)21-8-6-7-9-29-21/h6-11,13,17,19H,14-15,28H2,1-5H3/b31-16+,32-24+.
What are the key properties of tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate?
tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate has a molecular weight of 502.58 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate is sourced from PubChem (CID 164920909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).