N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

C24H22N6O2S — CID 118168010

IUPACN-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)NCc4ccc(C)[n+]([O-])c4)cn23)s1
InChIInChI=1S/C24H22N6O2S/c1-15-4-6-17(12-30(15)32)9-26-24(31)18-8-20(19-10-27-28(3)13-19)23-25-11-21(29(23)14-18)22-7-5-16(2)33-22/h4-8,10-14H,9H2,1-3H3,(H,26,31)
InChIKeyQEPGVLDPLKXWMD-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.64
Rot. Bonds5

About N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide

N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118168010) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118168010
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC NameN-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)NCc4ccc(C)[n+]([O-])c4)cn23)s1
InChIInChI=1S/C24H22N6O2S/c1-15-4-6-17(12-30(15)32)9-26-24(31)18-8-20(19-10-27-28(3)13-19)23-25-11-21(29(23)14-18)22-7-5-16(2)33-22/h4-8,10-14H,9H2,1-3H3,(H,26,31)
InChIKeyQEPGVLDPLKXWMD-UHFFFAOYSA-N
XLogP3.64
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-(cyclohexylamino)-N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118168520
8-(4,4-dimethylpiperidin-1-yl)-N-[(1-methoxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 123858733
N-[(1-hydroxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(5-methylthiophen-2-yl)-8-[4-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 148942146
8-(4-methylpiperidin-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118168317
N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-8-(4-methylpiperidin-1-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 123497789
8-[5-(difluoromethyl)tetrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118168102
8-[5-(difluoromethyl)triazol-1-yl]-N-[(2-methoxypyrimidin-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 118167985
8-[(2,2-difluoro-1-hydrazinylpropylidene)amino]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 144870539
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
CID 167770744
methyl 8-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 118167941
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 118168010) is N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(-c2cnc3c(-c4cnn(C)c4)cc(C(=O)NCc4ccc(C)[n+]([O-])c4)cn23)s1.
What is the InChIKey of N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is QEPGVLDPLKXWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-15-4-6-17(12-30(15)32)9-26-24(31)18-8-20(19-10-27-28(3)13-19)23-25-11-21(29(23)14-18)22-7-5-16(2)33-22/h4-8,10-14H,9H2,1-3H3,(H,26,31).
What are the key properties of N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide?
N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 458.55 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1-oxidopyridin-1-ium-3-yl)methyl]-8-(1-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118168010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).