1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide

C22H26N4O4S — CID 171655386

IUPAC1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide
SMILESCc1c(OCc2ccccc2)cnc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)n(C)c12
InChIInChI=1S/C22H26N4O4S/c1-15-17(30-14-16-7-5-4-6-8-16)13-23-19-18(15)26(3)20(24-19)21(27)25-22(2)9-11-31(28,29)12-10-22/h4-8,13H,9-12,14H2,1-3H3,(H,25,27)
InChIKeyJYMYWNKFZIQXCC-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.55
Rot. Bonds5

About 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide

1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 171655386) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID171655386
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide
SMILESCc1c(OCc2ccccc2)cnc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)n(C)c12
InChIInChI=1S/C22H26N4O4S/c1-15-17(30-14-16-7-5-4-6-8-16)13-23-19-18(15)26(3)20(24-19)21(27)25-22(2)9-11-31(28,29)12-10-22/h4-8,13H,9-12,14H2,1-3H3,(H,25,27)
InChIKeyJYMYWNKFZIQXCC-UHFFFAOYSA-N
XLogP2.55
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide with MolForge

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Related Compounds

4-fluoro-5-hydroxy-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)benzimidazole-2-carboxamide
CID 171655480
6-[(1,4-dimethylpyrazol-3-yl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 171552810
4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 43020389
3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
CID 171552786
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
CID 171552982
5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 176912916
ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate
CID 163659293
1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716580
5-(aminomethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63722542
(4-methoxy-3-methyl-5-phenylmethoxy-2-pyridinyl)methanol
CID 54539942

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide (CID 171655386) is 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide is Cc1c(OCc2ccccc2)cnc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)n(C)c12.
What is the InChIKey of 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is JYMYWNKFZIQXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15-17(30-14-16-7-5-4-6-8-16)13-23-19-18(15)26(3)20(24-19)21(27)25-22(2)9-11-31(28,29)12-10-22/h4-8,13H,9-12,14H2,1-3H3,(H,25,27).
What are the key properties of 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide?
1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-phenylmethoxyimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 171655386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).