2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile

C102H106Cl8N16O7 — CID 158944749

About 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile

2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 158944749) has the molecular formula C102H106Cl8N16O7 and a molecular weight of 1951.70 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile
• PubChem CID: 158944749
• Molecular Formula: C102H106Cl8N16O7
• Molecular Weight: 1951.70 g/mol
• Exact Mass: 1946.59
• IUPAC Name: 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile
• SMILES: COC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cn4c3C)c2Cl)CC1.Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C(C)(C)O)CC4)c3Cl)nc12.Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C(C)O)CC4)c3Cl)nc12.Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C5CCC5)CC4)c3Cl)nc12
• InChI: InChI=1S/C27H28Cl2N4O.C26H28Cl2N4O2.C25H26Cl2N4O2.C24H24Cl2N4O2/c1-16-12-18(14-30)15-33-17(2)24(31-26(16)33)13-22-23(28)7-6-21(25(22)29)27(34)32-10-8-20(9-11-32)19-4-3-5-19;1-15-11-17(13-29)14-32-16(2)22(30-24(15)32)12-20-21(27)6-5-19(23(20)28)25(33)31-9-7-18(8-10-31)26(3,4)34;1-14-10-17(12-28)13-31-15(2)22(29-24(14)31)11-20-21(26)5-4-19(23(20)27)25(33)30-8-6-18(7-9-30)16(3)32;1-14-10-16(12-27)13-30-15(2)21(28-23(14)30)11-19-20(25)5-4-18(22(19)26)24(31)29-8-6-17(32-3)7-9-29/h6-7,12,15,19-20H,3-5,8-11,13H2,1-2H3;5-6,11,14,18,34H,7-10,12H2,1-4H3;4-5,10,13,16,18,32H,6-9,11H2,1-3H3;4-5,10,13,17H,6-9,11H2,1-3H3
• InChIKey: JKRKEMNOXRAWCR-UHFFFAOYSA-N
• XLogP: 21.64
• TPSA: 295.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1951.70
LogP ≤ 5	21.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile?

The IUPAC name of 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile (CID 158944749) is 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile.

What is the SMILES notation for 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile?

The canonical SMILES for 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile is COC1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cn4c3C)c2Cl)CC1.Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C(C)(C)O)CC4)c3Cl)nc12.Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C(C)O)CC4)c3Cl)nc12.Cc1cc(C#N)cn2c(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C5CCC5)CC4)c3Cl)nc12.

What is the InChIKey of 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile?

The InChIKey is JKRKEMNOXRAWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O.C26H28Cl2N4O2.C25H26Cl2N4O2.C24H24Cl2N4O2/c1-16-12-18(14-30)15-33-17(2)24(31-26(16)33)13-22-23(28)7-6-21(25(22)29)27(34)32-10-8-20(9-11-32)19-4-3-5-19;1-15-11-17(13-29)14-32-16(2)22(30-24(15)32)12-20-21(27)6-5-19(23(20)28)25(33)31-9-7-18(8-10-31)26(3,4)34;1-14-10-17(12-28)13-31-15(2)22(29-24(14)31)11-20-21(26)5-4-19(23(20)27)25(33)30-8-6-18(7-9-30)16(3)32;1-14-10-16(12-27)13-30-15(2)21(28-23(14)30)11-19-20(25)5-4-18(22(19)26)24(31)29-8-6-17(32-3)7-9-29/h6-7,12,15,19-20H,3-5,8-11,13H2,1-2H3;5-6,11,14,18,34H,7-10,12H2,1-4H3;4-5,10,13,16,18,32H,6-9,11H2,1-3H3;4-5,10,13,17H,6-9,11H2,1-3H3.

What are the key properties of 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile?

2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 1951.70 g/mol, XLogP of 21.64, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(1-hydroxyethyl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile;2-[[2,6-dichloro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-3,8-dimethylimidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 158944749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).