N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

C24H28N4O2 — CID 143685707

IUPACN-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC/C=C\C12CC1/C2=C\CNC(=O)c1cccc2nc(CC(=O)NC3CCC3)cn12
InChIInChI=1S/C24H28N4O2/c1-2-3-11-24-14-19(24)18(24)10-12-25-23(30)20-8-5-9-21-26-17(15-28(20)21)13-22(29)27-16-6-4-7-16/h3,5,8-11,15-16,19H,2,4,6-7,12-14H2,1H3,(H,25,30)(H,27,29)/b11-3-,18-10+
InChIKeySIWBEEOVVPZKDN-PAGURKOFSA-N
MW404.51 g/mol
LogP3.19
Rot. Bonds8

About N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685707) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685707
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC/C=C\C12CC1/C2=C\CNC(=O)c1cccc2nc(CC(=O)NC3CCC3)cn12
InChIInChI=1S/C24H28N4O2/c1-2-3-11-24-14-19(24)18(24)10-12-25-23(30)20-8-5-9-21-26-17(15-28(20)21)13-22(29)27-16-6-4-7-16/h3,5,8-11,15-16,19H,2,4,6-7,12-14H2,1H3,(H,25,30)(H,27,29)/b11-3-,18-10+
InChIKeySIWBEEOVVPZKDN-PAGURKOFSA-N
XLogP3.19
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 143685707) is N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is CC/C=C\C12CC1/C2=C\CNC(=O)c1cccc2nc(CC(=O)NC3CCC3)cn12.
What is the InChIKey of N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is SIWBEEOVVPZKDN-PAGURKOFSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-3-11-24-14-19(24)18(24)10-12-25-23(30)20-8-5-9-21-26-17(15-28(20)21)13-22(29)27-16-6-4-7-16/h3,5,8-11,15-16,19H,2,4,6-7,12-14H2,1H3,(H,25,30)(H,27,29)/b11-3-,18-10+.
What are the key properties of N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-[1-[(Z)-but-1-enyl]-2-bicyclo[1.1.0]butanylidene]ethyl]-2-[2-(cyclobutylamino)-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).