3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C18H24N4O4S — CID 134078504

IUPAC3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2c3c(ncn3C)CCN2S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N4O4S/c1-12(2)26-14-7-5-13(6-8-14)20-18(23)17-16-15(19-11-21(16)3)9-10-22(17)27(4,24)25/h5-8,11-12,17H,9-10H2,1-4H3,(H,20,23)
InChIKeyOGIOEVXQVHUHOD-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.70
Rot. Bonds5

About 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 134078504) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID134078504
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2c3c(ncn3C)CCN2S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N4O4S/c1-12(2)26-14-7-5-13(6-8-14)20-18(23)17-16-15(19-11-21(16)3)9-10-22(17)27(4,24)25/h5-8,11-12,17H,9-10H2,1-4H3,(H,20,23)
InChIKeyOGIOEVXQVHUHOD-UHFFFAOYSA-N
XLogP1.70
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 134078502
3-methyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155856391
1-(cyclopropanecarbonyl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 47044071
4-(4-methylpiperazine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 109147452
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 132667017
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
2-(piperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109132303
(2R)-7-chloro-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 38098018
5-amino-3-methyl-N-(4-propan-2-yloxyphenyl)imidazole-4-sulfonamide
CID 63978492
1-(3,4-dimethylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55748874
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-yloxybenzamide
CID 4951892

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 134078504) is 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is CC(C)Oc1ccc(NC(=O)C2c3c(ncn3C)CCN2S(C)(=O)=O)cc1.
What is the InChIKey of 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is OGIOEVXQVHUHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-12(2)26-14-7-5-13(6-8-14)20-18(23)17-16-15(19-11-21(16)3)9-10-22(17)27(4,24)25/h5-8,11-12,17H,9-10H2,1-4H3,(H,20,23).
What are the key properties of 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfonyl-N-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 134078504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).