1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide

C25H26N4O3S2 — CID 56725632

IUPAC1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1nc2c(C(=O)NCCCc3ccccc3)nc(-c3cccs3)cc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C25H26N4O3S2/c1-17-27-23-21(29(17)19-11-14-34(31,32)16-19)15-20(22-10-6-13-33-22)28-24(23)25(30)26-12-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,13,15,19H,5,9,11-12,14,16H2,1H3,(H,26,30)
InChIKeyTWYUEVMSUGZPBB-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.19
Rot. Bonds7

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

1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 56725632) has the molecular formula C25H26N4O3S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
PubChem CID56725632
Molecular FormulaC25H26N4O3S2
Molecular Weight494.64 g/mol
Exact Mass494.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1nc2c(C(=O)NCCCc3ccccc3)nc(-c3cccs3)cc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C25H26N4O3S2/c1-17-27-23-21(29(17)19-11-14-34(31,32)16-19)15-20(22-10-6-13-33-22)28-24(23)25(30)26-12-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,13,15,19H,5,9,11-12,14,16H2,1H3,(H,26,30)
InChIKeyTWYUEVMSUGZPBB-UHFFFAOYSA-N
XLogP4.19
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-2-methyl-6-thiophen-2-yl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide
CID 66557557
1-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide
CID 56725606
sodium 1-(1,1-dioxothiolan-3-yl)-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxylate
CID 56726083
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-thiophen-2-ylimidazo[4,5-c]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 66557475
1-(1,1-dioxothiolan-3-yl)-6-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine-4-carboxamide
CID 66557550
1-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-2-methyl-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
CID 56726194
1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(2-phenylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42111514
1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
CID 66557476
N-[(4-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-6-(furan-2-yl)-2-methylimidazo[4,5-c]pyridine-4-carboxamide
CID 66557570
1-(1,1-dioxothiolan-3-yl)-N-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide
CID 56727662
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide (CID 56725632) is 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide is Cc1nc2c(C(=O)NCCCc3ccccc3)nc(-c3cccs3)cc2n1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is TWYUEVMSUGZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S2/c1-17-27-23-21(29(17)19-11-14-34(31,32)16-19)15-20(22-10-6-13-33-22)28-24(23)25(30)26-12-5-9-18-7-3-2-4-8-18/h2-4,6-8,10,13,15,19H,5,9,11-12,14,16H2,1H3,(H,26,30).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide?
1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 4.19, 7 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)-2-methyl-N-(3-phenylpropyl)-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 56725632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).