1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one

C23H34N6O3S — CID 71116752

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)C1
InChIInChI=1S/C23H34N6O3S/c1-15-20(16(2)27(7)25-15)33(31,32)28-12-8-9-17(13-28)18-10-11-19-21(24-18)26(6)22(30)29(19)14-23(3,4)5/h10-11,17H,8-9,12-14H2,1-7H3
InChIKeyFMZCRZXUMDIGPD-UHFFFAOYSA-N
MW474.63 g/mol
LogP2.70
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 71116752) has the molecular formula C23H34N6O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
PubChem CID71116752
Molecular FormulaC23H34N6O3S
Molecular Weight474.63 g/mol
Exact Mass474.24
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)C1
InChIInChI=1S/C23H34N6O3S/c1-15-20(16(2)27(7)25-15)33(31,32)28-12-8-9-17(13-28)18-10-11-19-21(24-18)26(6)22(30)29(19)14-23(3,4)5/h10-11,17H,8-9,12-14H2,1-7H3
InChIKeyFMZCRZXUMDIGPD-UHFFFAOYSA-N
XLogP2.70
TPSA95.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one (CID 71116752) is 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is FMZCRZXUMDIGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O3S/c1-15-20(16(2)27(7)25-15)33(31,32)28-12-8-9-17(13-28)18-10-11-19-21(24-18)26(6)22(30)29(19)14-23(3,4)5/h10-11,17H,8-9,12-14H2,1-7H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 474.63 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71116752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).