1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide

C26H26N4O4S — CID 56726194

IUPAC1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(-c3ccccc3)cc3c2nc(C)n3C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C26H26N4O4S/c1-17-28-24-23(30(17)20-11-12-35(32,33)16-20)14-22(19-8-4-3-5-9-19)29-25(24)26(31)27-15-18-7-6-10-21(13-18)34-2/h3-10,13-14,20H,11-12,15-16H2,1-2H3,(H,27,31)
InChIKeyXOXIUNKPVOXNOD-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.70
Rot. Bonds6

About 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 56726194) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
PubChem CID56726194
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(-c3ccccc3)cc3c2nc(C)n3C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C26H26N4O4S/c1-17-28-24-23(30(17)20-11-12-35(32,33)16-20)14-22(19-8-4-3-5-9-19)29-25(24)26(31)27-15-18-7-6-10-21(13-18)34-2/h3-10,13-14,20H,11-12,15-16H2,1-2H3,(H,27,31)
InChIKeyXOXIUNKPVOXNOD-UHFFFAOYSA-N
XLogP3.70
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
CID 56725606
1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
CID 56725632
N-(3,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide
CID 56727663
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-5-phenylpyrazole-3-carboxamide
CID 42476036
1-(1,1-dioxothiolan-3-yl)-N-(1-methoxypropan-2-yl)-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
CID 56725618
[1-(1,1-dioxothiolan-3-yl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 66557484
1-[(3S)-1,1-dioxothiolan-3-yl]-6-(3-methoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461712
1-[(3R)-1,1-dioxothiolan-3-yl]-6-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 42111450
sodium 1-(1,1-dioxothiolan-3-yl)-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxylate
CID 56726083
1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42272353
[1-(1,1-dioxothiolan-3-yl)-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 66557475
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpyrazole-3-carboxamide
CID 42343543

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide (CID 56726194) is 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide is COc1cccc(CNC(=O)c2nc(-c3ccccc3)cc3c2nc(C)n3C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is XOXIUNKPVOXNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-17-28-24-23(30(17)20-11-12-35(32,33)16-20)14-22(19-8-4-3-5-9-19)29-25(24)26(31)27-15-18-7-6-10-21(13-18)34-2/h3-10,13-14,20H,11-12,15-16H2,1-2H3,(H,27,31).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 56726194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).