cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane

C53H75ClN10O6S2 — CID 159885611

About cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane

cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane (PubChem CID 159885611) has the molecular formula C53H75ClN10O6S2 and a molecular weight of 1047.83 g/mol. Its IUPAC name is cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane.

Molecular Properties

• Compound Name: cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane
• PubChem CID: 159885611
• Molecular Formula: C53H75ClN10O6S2
• Molecular Weight: 1047.83 g/mol
• Exact Mass: 1046.50
• IUPAC Name: cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane
• SMILES: C.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CN4CCN(S(=O)(=O)C5CC5)CC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CN4CCNCC4)c3)nc21.O=S(=O)(Cl)C1CC1
• InChI: InChI=1S/C26H35N5O3S.C23H31N5O.C3H5ClO2S.CH4/c1-26(2,3)18-31-23-11-10-22(27-24(23)28(4)25(31)32)20-7-5-6-19(16-20)17-29-12-14-30(15-13-29)35(33,34)21-8-9-21;1-23(2,3)16-28-20-9-8-19(25-21(20)26(4)22(28)29)18-7-5-6-17(14-18)15-27-12-10-24-11-13-27;4-7(5,6)3-1-2-3;/h5-7,10-11,16,21H,8-9,12-15,17-18H2,1-4H3;5-9,14,24H,10-13,15-16H2,1-4H3;3H,1-2H2;1H4
• InChIKey: NUCCJFQNQUSURN-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 169.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1047.83
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane?

The IUPAC name of cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane (CID 159885611) is cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane.

What is the SMILES notation for cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane?

The canonical SMILES for cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane is C.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CN4CCN(S(=O)(=O)C5CC5)CC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CN4CCNCC4)c3)nc21.O=S(=O)(Cl)C1CC1.

What is the InChIKey of cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane?

The InChIKey is NUCCJFQNQUSURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3S.C23H31N5O.C3H5ClO2S.CH4/c1-26(2,3)18-31-23-11-10-22(27-24(23)28(4)25(31)32)20-7-5-6-19(16-20)17-29-12-14-30(15-13-29)35(33,34)21-8-9-21;1-23(2,3)16-28-20-9-8-19(25-21(20)26(4)22(28)29)18-7-5-6-17(14-18)15-27-12-10-24-11-13-27;4-7(5,6)3-1-2-3;/h5-7,10-11,16,21H,8-9,12-15,17-18H2,1-4H3;5-9,14,24H,10-13,15-16H2,1-4H3;3H,1-2H2;1H4.

What are the key properties of cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane?

cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane has a molecular weight of 1047.83 g/mol, XLogP of 7.26, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanesulfonyl chloride;5-[3-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane is sourced from PubChem (CID 159885611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).