2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine

C70H87ClN14O6S — CID 158828405

About 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine

2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine (PubChem CID 158828405) has the molecular formula C70H87ClN14O6S and a molecular weight of 1288.08 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine.

Molecular Properties

• Compound Name: 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine
• PubChem CID: 158828405
• Molecular Formula: C70H87ClN14O6S
• Molecular Weight: 1288.08 g/mol
• Exact Mass: 1286.63
• IUPAC Name: 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine
• SMILES: C1CCNC1.CCc1ccc(C#N)c(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1.CS(=O)(=O)Cl.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(CN4CCCC4)ccc3C#N)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(CO)ccc3C#N)nc21
• InChI: InChI=1S/C24H29N5O.C21H24N4O.C20H22N4O2.C4H9N.CH3ClO2S/c1-24(2,3)16-29-21-10-9-20(26-22(21)27(4)23(29)30)19-13-17(7-8-18(19)14-25)15-28-11-5-6-12-28;1-6-14-7-8-15(12-22)16(11-14)17-9-10-18-19(23-17)24(5)20(26)25(18)13-21(2,3)4;1-20(2,3)12-24-17-8-7-16(22-18(17)23(4)19(24)26)15-9-13(11-25)5-6-14(15)10-21;1-2-4-5-3-1;1-5(2,3)4/h7-10,13H,5-6,11-12,15-16H2,1-4H3;7-11H,6,13H2,1-5H3;5-9,25H,11-12H2,1-4H3;5H,1-4H2;1H3
• InChIKey: IWSVWRIJVDNMMJ-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 260.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1288.08
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine?

The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine (CID 158828405) is 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine.

What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine?

The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine is C1CCNC1.CCc1ccc(C#N)c(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1.CS(=O)(=O)Cl.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(CN4CCCC4)ccc3C#N)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(CO)ccc3C#N)nc21.

What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine?

The InChIKey is IWSVWRIJVDNMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O.C21H24N4O.C20H22N4O2.C4H9N.CH3ClO2S/c1-24(2,3)16-29-21-10-9-20(26-22(21)27(4)23(29)30)19-13-17(7-8-18(19)14-25)15-28-11-5-6-12-28;1-6-14-7-8-15(12-22)16(11-14)17-9-10-18-19(23-17)24(5)20(26)25(18)13-21(2,3)4;1-20(2,3)12-24-17-8-7-16(22-18(17)23(4)19(24)26)15-9-13(11-25)5-6-14(15)10-21;1-2-4-5-3-1;1-5(2,3)4/h7-10,13H,5-6,11-12,15-16H2,1-4H3;7-11H,6,13H2,1-5H3;5-9,25H,11-12H2,1-4H3;5H,1-4H2;1H3.

What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine?

2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine has a molecular weight of 1288.08 g/mol, XLogP of 11.16, 10 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-ethylbenzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(hydroxymethyl)benzonitrile;2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(pyrrolidin-1-ylmethyl)benzonitrile;methanesulfonyl chloride;pyrrolidine is sourced from PubChem (CID 158828405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).