N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide

C30H43N5O — CID 118710462

IUPACN-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(C)(C)C)c1
InChIInChI=1S/C30H43N5O/c1-29(2,3)23-19-24(30(4,5)6)21-25(20-23)34-17-15-33(16-18-34)13-10-8-12-31-28(36)26-22-35-14-9-7-11-27(35)32-26/h7,9,11,14,19-22H,8,10,12-13,15-18H2,1-6H3,(H,31,36)
InChIKeyQZCUWLCSQMYXFR-UHFFFAOYSA-N
MW489.71 g/mol
LogP5.26
Rot. Bonds7

About N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 118710462) has the molecular formula C30H43N5O and a molecular weight of 489.71 g/mol. Its IUPAC name is N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID118710462
Molecular FormulaC30H43N5O
Molecular Weight489.71 g/mol
Exact Mass489.35
IUPAC NameN-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(C)(C)C)c1
InChIInChI=1S/C30H43N5O/c1-29(2,3)23-19-24(30(4,5)6)21-25(20-23)34-17-15-33(16-18-34)13-10-8-12-31-28(36)26-22-35-14-9-7-11-27(35)32-26/h7,9,11,14,19-22H,8,10,12-13,15-18H2,1-6H3,(H,31,36)
InChIKeyQZCUWLCSQMYXFR-UHFFFAOYSA-N
XLogP5.26
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.71
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

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Imidazopyridine 12a
CID 5329347
Imidazopyridine 12b
CID 5329348
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
2,4-Disubstituted Pyrimidine 3d
CID 5329429
4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
CID 11397050

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 118710462) is N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)(C)c1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)cc(C(C)(C)C)c1.
What is the InChIKey of N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QZCUWLCSQMYXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O/c1-29(2,3)23-19-24(30(4,5)6)21-25(20-23)34-17-15-33(16-18-34)13-10-8-12-31-28(36)26-22-35-14-9-7-11-27(35)32-26/h7,9,11,14,19-22H,8,10,12-13,15-18H2,1-6H3,(H,31,36).
What are the key properties of N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 489.71 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 118710462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).