1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride

C47H67ClN10O6S2 — CID 159463091

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride
SMILESC.CS(=O)(=O)Cl.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(N4CCNCC4)c3)nc21
InChIInChI=1S/C23H31N5O3S.C22H29N5O.CH3ClO2S.CH4/c1-23(2,3)16-28-20-10-9-19(24-21(20)25(4)22(28)29)17-7-6-8-18(15-17)26-11-13-27(14-12-26)32(5,30)31;1-22(2,3)15-27-19-9-8-18(24-20(19)25(4)21(27)28)16-6-5-7-17(14-16)26-12-10-23-11-13-26;1-5(2,3)4;/h6-10,15H,11-14,16H2,1-5H3;5-9,14,23H,10-13,15H2,1-4H3;1H3;1H4
InChIKeyLUVIICMZJYPNFA-UHFFFAOYSA-N
MW967.70 g/mol
LogP6.21
Rot. Bonds7

About 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride

1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride (PubChem CID 159463091) has the molecular formula C47H67ClN10O6S2 and a molecular weight of 967.70 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride
PubChem CID159463091
Molecular FormulaC47H67ClN10O6S2
Molecular Weight967.70 g/mol
Exact Mass966.44
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride
SMILESC.CS(=O)(=O)Cl.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(N4CCNCC4)c3)nc21
InChIInChI=1S/C23H31N5O3S.C22H29N5O.CH3ClO2S.CH4/c1-23(2,3)16-28-20-10-9-19(24-21(20)25(4)22(28)29)17-7-6-8-18(15-17)26-11-13-27(14-12-26)32(5,30)31;1-22(2,3)15-27-19-9-8-18(24-20(19)25(4)21(27)28)16-6-5-7-17(14-16)26-12-10-23-11-13-26;1-5(2,3)4;/h6-10,15H,11-14,16H2,1-5H3;5-9,14,23H,10-13,15H2,1-4H3;1H3;1H4
InChIKeyLUVIICMZJYPNFA-UHFFFAOYSA-N
XLogP6.21
TPSA169.67 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.70
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride with MolForge

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Related Compounds

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CID 157874350
1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-piperidine]-1'-carboxamide
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1-(2,2-Dimethylpropyl)-3-methyl-5-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-b]pyridin-2-one
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1-(2,2-Dimethylpropyl)-3-methyl-5-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-b]pyridin-2-one
CID 89496608
1-(2,2-Dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 89735514
N-[2-[[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl]-N-propylmethanesulfonamide
CID 123369956
1-(2,2-Dimethylpropyl)-3-methyl-5-[3-(4-methylsulfinylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one
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5-[5-(2-Aminopropan-2-yl)-2-methylphenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[2-methyl-5-(2-piperidin-1-ylpropan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-one;penta-1,4-diene
CID 157453910
3-benzyl-7-(benzylamino)-5-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
CID 159256674
1-(2,2-Dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;2-fluoroethyl carbonochloridate;2-fluoroethyl 4-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate
CID 159621662
5-(2-Azabicyclo[2.2.2]oct-5-en-5-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-5-yl)imidazo[4,5-b]pyridin-2-one;sulfur dioxide
CID 159630568

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride (CID 159463091) is 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride is C.CS(=O)(=O)Cl.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(N4CCNCC4)c3)nc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride?
The InChIKey is LUVIICMZJYPNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S.C22H29N5O.CH3ClO2S.CH4/c1-23(2,3)16-28-20-10-9-19(24-21(20)25(4)22(28)29)17-7-6-8-18(15-17)26-11-13-27(14-12-26)32(5,30)31;1-22(2,3)15-27-19-9-8-18(24-20(19)25(4)21(27)28)16-6-5-7-17(14-16)26-12-10-23-11-13-26;1-5(2,3)4;/h6-10,15H,11-14,16H2,1-5H3;5-9,14,23H,10-13,15H2,1-4H3;1H3;1H4.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride?
1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride has a molecular weight of 967.70 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(3-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;methane;methanesulfonyl chloride is sourced from PubChem (CID 159463091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).