N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

C26H36N4O2 — CID 143685778

IUPACN-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC/C=C\C1(/C=C/CNC(=O)c2cccc3nc(CC(=O)N(C)CC(C)C)cn23)CC1C
InChIInChI=1S/C26H36N4O2/c1-6-7-12-26(16-20(26)4)13-9-14-27-25(32)22-10-8-11-23-28-21(18-30(22)23)15-24(31)29(5)17-19(2)3/h7-13,18-20H,6,14-17H2,1-5H3,(H,27,32)/b12-7-,13-9+
InChIKeyUFSARAVKXJINKJ-KOPDLMNGSA-N
MW436.60 g/mol
LogP4.27
Rot. Bonds10

About N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685778) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685778
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC/C=C\C1(/C=C/CNC(=O)c2cccc3nc(CC(=O)N(C)CC(C)C)cn23)CC1C
InChIInChI=1S/C26H36N4O2/c1-6-7-12-26(16-20(26)4)13-9-14-27-25(32)22-10-8-11-23-28-21(18-30(22)23)15-24(31)29(5)17-19(2)3/h7-13,18-20H,6,14-17H2,1-5H3,(H,27,32)/b12-7-,13-9+
InChIKeyUFSARAVKXJINKJ-KOPDLMNGSA-N
XLogP4.27
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 143685778) is N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is CC/C=C\C1(/C=C/CNC(=O)c2cccc3nc(CC(=O)N(C)CC(C)C)cn23)CC1C.
What is the InChIKey of N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is UFSARAVKXJINKJ-KOPDLMNGSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-6-7-12-26(16-20(26)4)13-9-14-27-25(32)22-10-8-11-23-28-21(18-30(22)23)15-24(31)29(5)17-19(2)3/h7-13,18-20H,6,14-17H2,1-5H3,(H,27,32)/b12-7-,13-9+.
What are the key properties of N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[1-[(Z)-but-1-enyl]-2-methylcyclopropyl]prop-2-enyl]-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).