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

C23H26N4O4S — CID 66557476

IUPAC1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1nc2c(C(=O)NCC3CCCO3)nc(-c3ccccc3)cc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C23H26N4O4S/c1-15-25-21-20(27(15)17-9-11-32(29,30)14-17)12-19(16-6-3-2-4-7-16)26-22(21)23(28)24-13-18-8-5-10-31-18/h2-4,6-7,12,17-18H,5,8-11,13-14H2,1H3,(H,24,28)
InChIKeyZGINWMHDOXTSQM-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.68
Rot. Bonds5

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

1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 66557476) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
PubChem CID66557476
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide
SMILESCc1nc2c(C(=O)NCC3CCCO3)nc(-c3ccccc3)cc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C23H26N4O4S/c1-15-25-21-20(27(15)17-9-11-32(29,30)14-17)12-19(16-6-3-2-4-7-16)26-22(21)23(28)24-13-18-8-5-10-31-18/h2-4,6-7,12,17-18H,5,8-11,13-14H2,1H3,(H,24,28)
InChIKeyZGINWMHDOXTSQM-UHFFFAOYSA-N
XLogP2.68
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461738
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-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[4,5-c]pyridine-4-carboxamide
CID 56727662
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)-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]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 94237851
1-[(3S)-1,1-dioxothiolan-3-yl]-6-(3-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461683
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
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
sodium 1-(1,1-dioxothiolan-3-yl)-2-methyl-6-thiophen-2-ylimidazo[4,5-c]pyridine-4-carboxylate
CID 56726083
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide (CID 66557476) is 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide is Cc1nc2c(C(=O)NCC3CCCO3)nc(-c3ccccc3)cc2n1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is ZGINWMHDOXTSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-15-25-21-20(27(15)17-9-11-32(29,30)14-17)12-19(16-6-3-2-4-7-16)26-22(21)23(28)24-13-18-8-5-10-31-18/h2-4,6-7,12,17-18H,5,8-11,13-14H2,1H3,(H,24,28).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide?
1-(1,1-dioxothiolan-3-yl)-2-methyl-N-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 2.68, 5 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-(oxolan-2-ylmethyl)-6-phenylimidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 66557476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).