3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

C24H25BrN4OS — CID 46942463

IUPAC3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3cccs3)cn2c1N(CC)Cc1cccc(Br)c1
InChIInChI=1S/C24H25BrN4OS/c1-3-21-24(28(4-2)15-17-7-5-8-19(25)13-17)29-16-18(10-11-22(29)27-21)23(30)26-14-20-9-6-12-31-20/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,30)
InChIKeyGPLSGCUXPDLMAL-UHFFFAOYSA-N
MW497.46 g/mol
LogP5.68
Rot. Bonds8

About 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46942463) has the molecular formula C24H25BrN4OS and a molecular weight of 497.46 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46942463
Molecular FormulaC24H25BrN4OS
Molecular Weight497.46 g/mol
Exact Mass496.09
IUPAC Name3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3cccs3)cn2c1N(CC)Cc1cccc(Br)c1
InChIInChI=1S/C24H25BrN4OS/c1-3-21-24(28(4-2)15-17-7-5-8-19(25)13-17)29-16-18(10-11-22(29)27-21)23(30)26-14-20-9-6-12-31-20/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,30)
InChIKeyGPLSGCUXPDLMAL-UHFFFAOYSA-N
XLogP5.68
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-Cyclopropyl-4-{8-[(Thiophen-2-Ylmethyl)amino]imidazo[1,2-A]pyrazin-3-Yl}benzamide
CID 57382314
N-((S)-1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803305
N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24804134
Bcat-IN-1
CID 118988431
N-[7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 843190
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
4-Chloro-N-(6,8-dibromo-2-(2-thienyl)imidazo(1,2-a)pyridin-3-yl)benzamide
CID 979735
N-(3-amino-1-phenylpropyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24802788
N-(2-amino-2-phenylethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24803957
4-bromo-N-(1-(methylamino)-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24804133
4-bromo-N-(1-(isopropylamino)-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24804298

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 46942463) is 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCc3cccs3)cn2c1N(CC)Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GPLSGCUXPDLMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4OS/c1-3-21-24(28(4-2)15-17-7-5-8-19(25)13-17)29-16-18(10-11-22(29)27-21)23(30)26-14-20-9-6-12-31-20/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,30).
What are the key properties of 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 497.46 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46942463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).