2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol

C134H120Cl5N23O6 — CID 160868798

IUPAC2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol
SMILESCN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1=O.CN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1=O.Cn1ccnc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cc[nH]c(=O)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.OC(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)C1CCCN1
InChIInChI=1S/C30H26ClN5O2.C29H27ClN6O.C26H22ClN5O.C25H23ClN4O.C24H22ClN3O/c31-25-9-6-22(7-10-25)29-26(36-19-24(8-11-27(36)33-29)21-4-2-1-3-5-21)20-34-14-16-35(17-15-34)30(38)23-12-13-32-28(37)18-23;1-33-14-13-31-28(33)29(37)35-17-15-34(16-18-35)20-25-27(22-7-10-24(30)11-8-22)32-26-12-9-23(19-36(25)26)21-5-3-2-4-6-21;1-30-12-13-31(17-25(30)33)16-23-26(18-6-9-21(27)10-7-18)29-24-11-8-20(15-32(23)24)22-5-3-2-4-19(22)14-28;1-28-13-14-29(17-24(28)31)16-22-25(19-7-10-21(26)11-8-19)27-23-12-9-20(15-30(22)23)18-5-3-2-4-6-18;25-19-11-8-17(9-12-19)22-23(24(29)20-7-4-14-26-20)28-15-18(10-13-21(28)27-22)16-5-2-1-3-6-16/h1-13,18-19H,14-17,20H2,(H,32,37);2-14,19H,15-18,20H2,1H3;2-11,15H,12-13,16-17H2,1H3;2-12,15H,13-14,16-17H2,1H3;1-3,5-6,8-13,15,20,24,26,29H,4,7,14H2
InChIKeySLMIQFRTCCDPTD-UHFFFAOYSA-N
MW2325.85 g/mol
LogP24.15
Rot. Bonds22

About 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol

2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol (PubChem CID 160868798) has the molecular formula C134H120Cl5N23O6 and a molecular weight of 2325.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol
PubChem CID160868798
Molecular FormulaC134H120Cl5N23O6
Molecular Weight2325.85 g/mol
Exact Mass2321.82
IUPAC Name2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol
SMILESCN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1=O.CN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1=O.Cn1ccnc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cc[nH]c(=O)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.OC(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)C1CCCN1
InChIInChI=1S/C30H26ClN5O2.C29H27ClN6O.C26H22ClN5O.C25H23ClN4O.C24H22ClN3O/c31-25-9-6-22(7-10-25)29-26(36-19-24(8-11-27(36)33-29)21-4-2-1-3-5-21)20-34-14-16-35(17-15-34)30(38)23-12-13-32-28(37)18-23;1-33-14-13-31-28(33)29(37)35-17-15-34(16-18-35)20-25-27(22-7-10-24(30)11-8-22)32-26-12-9-23(19-36(25)26)21-5-3-2-4-6-21;1-30-12-13-31(17-25(30)33)16-23-26(18-6-9-21(27)10-7-18)29-24-11-8-20(15-32(23)24)22-5-3-2-4-19(22)14-28;1-28-13-14-29(17-24(28)31)16-22-25(19-7-10-21(26)11-8-19)27-23-12-9-20(15-30(22)23)18-5-3-2-4-6-18;25-19-11-8-17(9-12-19)22-23(24(29)20-7-4-14-26-20)28-15-18(10-13-21(28)27-22)16-5-2-1-3-6-16/h1-13,18-19H,14-17,20H2,(H,32,37);2-14,19H,15-18,20H2,1H3;2-11,15H,12-13,16-17H2,1H3;2-12,15H,13-14,16-17H2,1H3;1-3,5-6,8-13,15,20,24,26,29H,4,7,14H2
InChIKeySLMIQFRTCCDPTD-UHFFFAOYSA-N
XLogP24.15
TPSA287.43 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.85
LogP ≤ 524.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol?
The IUPAC name of 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol (CID 160868798) is 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol is CN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1=O.CN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1=O.Cn1ccnc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cc[nH]c(=O)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.OC(c1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12)C1CCCN1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol?
The InChIKey is SLMIQFRTCCDPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O2.C29H27ClN6O.C26H22ClN5O.C25H23ClN4O.C24H22ClN3O/c31-25-9-6-22(7-10-25)29-26(36-19-24(8-11-27(36)33-29)21-4-2-1-3-5-21)20-34-14-16-35(17-15-34)30(38)23-12-13-32-28(37)18-23;1-33-14-13-31-28(33)29(37)35-17-15-34(16-18-35)20-25-27(22-7-10-24(30)11-8-22)32-26-12-9-23(19-36(25)26)21-5-3-2-4-6-21;1-30-12-13-31(17-25(30)33)16-23-26(18-6-9-21(27)10-7-18)29-24-11-8-20(15-32(23)24)22-5-3-2-4-19(22)14-28;1-28-13-14-29(17-24(28)31)16-22-25(19-7-10-21(26)11-8-19)27-23-12-9-20(15-30(22)23)18-5-3-2-4-6-18;25-19-11-8-17(9-12-19)22-23(24(29)20-7-4-14-26-20)28-15-18(10-13-21(28)27-22)16-5-2-1-3-6-16/h1-13,18-19H,14-17,20H2,(H,32,37);2-14,19H,15-18,20H2,1H3;2-11,15H,12-13,16-17H2,1H3;2-12,15H,13-14,16-17H2,1H3;1-3,5-6,8-13,15,20,24,26,29H,4,7,14H2.
What are the key properties of 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol?
2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol has a molecular weight of 2325.85 g/mol, XLogP of 24.15, 22 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-3-[(4-methyl-3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-1-methylpiperazin-2-one;4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]-1H-pyridin-2-one;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 160868798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).