1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one

C35H54N8O4S — CID 160920751

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(S(C)(=O)=O)C3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCNC3)nc21
InChIInChI=1S/C18H28N4O3S.C17H26N4O/c1-18(2,3)12-22-15-9-8-14(19-16(15)20(4)17(22)23)13-7-6-10-21(11-13)26(5,24)25;1-17(2,3)11-21-14-8-7-13(12-6-5-9-18-10-12)19-15(14)20(4)16(21)22/h8-9,13H,6-7,10-12H2,1-5H3;7-8,12,18H,5-6,9-11H2,1-4H3
InChIKeySRZMIHWBPWMXPV-UHFFFAOYSA-N
MW682.94 g/mol
LogP4.17
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one (PubChem CID 160920751) has the molecular formula C35H54N8O4S and a molecular weight of 682.94 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
PubChem CID160920751
Molecular FormulaC35H54N8O4S
Molecular Weight682.94 g/mol
Exact Mass682.40
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(S(C)(=O)=O)C3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCNC3)nc21
InChIInChI=1S/C18H28N4O3S.C17H26N4O/c1-18(2,3)12-22-15-9-8-14(19-16(15)20(4)17(22)23)13-7-6-10-21(11-13)26(5,24)25;1-17(2,3)11-21-14-8-7-13(12-6-5-9-18-10-12)19-15(14)20(4)16(21)22/h8-9,13H,6-7,10-12H2,1-5H3;7-8,12,18H,5-6,9-11H2,1-4H3
InChIKeySRZMIHWBPWMXPV-UHFFFAOYSA-N
XLogP4.17
TPSA129.05 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.94
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one (CID 160920751) is 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(S(C)(=O)=O)C3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCNC3)nc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one?
The InChIKey is SRZMIHWBPWMXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S.C17H26N4O/c1-18(2,3)12-22-15-9-8-14(19-16(15)20(4)17(22)23)13-7-6-10-21(11-13)26(5,24)25;1-17(2,3)11-21-14-8-7-13(12-6-5-9-18-10-12)19-15(14)20(4)16(21)22/h8-9,13H,6-7,10-12H2,1-5H3;7-8,12,18H,5-6,9-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one has a molecular weight of 682.94 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-(1-methylsulfonylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 160920751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).