1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile

C117H115Cl2N19O7 — CID 157157950

About 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile

1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile (PubChem CID 157157950) has the molecular formula C117H115Cl2N19O7 and a molecular weight of 1970.24 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
• PubChem CID: 157157950
• Molecular Formula: C117H115Cl2N19O7
• Molecular Weight: 1970.24 g/mol
• Exact Mass: 1967.86
• IUPAC Name: 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
• SMILES: CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4C#N)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.COc1cccc(-c2nc3ccc(-c4ccccc4C(N)=O)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.N#Cc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)c1
• InChI: InChI=1S/C32H26ClN5O.C31H33N5O3.C31H31N5O2.C23H25ClN4O/c33-28-12-9-25(10-13-28)31-29(38-21-27(11-14-30(38)35-31)24-6-2-1-3-7-24)22-36-15-17-37(18-16-36)32(39)26-8-4-5-23(19-26)20-34;1-39-24-9-5-8-22(18-24)29-27(20-34-14-16-35(17-15-34)31(38)21-6-4-7-21)36-19-23(12-13-28(36)33-29)25-10-2-3-11-26(25)30(32)37;1-38-26-10-5-9-23(18-26)30-28(21-34-14-16-35(17-15-34)31(37)22-7-4-8-22)36-20-25(12-13-29(36)33-30)27-11-3-2-6-24(27)19-32;1-16(29)27-12-10-26(11-13-27)15-21-23(18-4-7-20(24)8-5-18)25-22-9-6-19(14-28(21)22)17-2-3-17/h1-14,19,21H,15-18,22H2;2-3,5,8-13,18-19,21H,4,6-7,14-17,20H2,1H3,(H2,32,37);2-3,5-6,9-13,18,20,22H,4,7-8,14-17,21H2,1H3;4-9,14,17H,2-3,10-13,15H2,1H3
• InChIKey: AMANVYSAFNFWIR-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 272.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.24
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?

The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile (CID 157157950) is 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile.

What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?

The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.COc1cccc(-c2nc3ccc(-c4ccccc4C#N)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.COc1cccc(-c2nc3ccc(-c4ccccc4C(N)=O)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.N#Cc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)c1.

What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?

The InChIKey is AMANVYSAFNFWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClN5O.C31H33N5O3.C31H31N5O2.C23H25ClN4O/c33-28-12-9-25(10-13-28)31-29(38-21-27(11-14-30(38)35-31)24-6-2-1-3-7-24)22-36-15-17-37(18-16-36)32(39)26-8-4-5-23(19-26)20-34;1-39-24-9-5-8-22(18-24)29-27(20-34-14-16-35(17-15-34)31(38)21-6-4-7-21)36-19-23(12-13-28(36)33-29)25-10-2-3-11-26(25)30(32)37;1-38-26-10-5-9-23(18-26)30-28(21-34-14-16-35(17-15-34)31(37)22-7-4-8-22)36-20-25(12-13-29(36)33-30)27-11-3-2-6-24(27)19-32;1-16(29)27-12-10-26(11-13-27)15-21-23(18-4-7-20(24)8-5-18)25-22-9-6-19(14-28(21)22)17-2-3-17/h1-14,19,21H,15-18,22H2;2-3,5,8-13,18-19,21H,4,6-7,14-17,20H2,1H3,(H2,32,37);2-3,5-6,9-13,18,20,22H,4,7-8,14-17,21H2,1H3;4-9,14,17H,2-3,10-13,15H2,1H3.

What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?

1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile has a molecular weight of 1970.24 g/mol, XLogP of 19.56, 22 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;3-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 157157950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).