(3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

C116H100Cl6N16O5S — CID 158544813

IUPAC(3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cccc(Cl)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cncs1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/2C31H26Cl2N4O.C28H24ClN5OS.C26H24ClN3O2/c32-26-12-9-23(10-13-26)30-28(37-20-25(11-14-29(37)34-30)22-5-2-1-3-6-22)21-35-15-17-36(18-16-35)31(38)24-7-4-8-27(33)19-24;32-26-11-6-23(7-12-26)30-28(37-20-25(10-15-29(37)34-30)22-4-2-1-3-5-22)21-35-16-18-36(19-17-35)31(38)24-8-13-27(33)14-9-24;29-23-9-6-21(7-10-23)27-24(18-32-12-14-33(15-13-32)28(35)25-16-30-19-36-25)34-17-22(8-11-26(34)31-27)20-4-2-1-3-5-20;27-22-9-6-19(7-10-22)25-23(17-29-14-12-20(13-15-29)26(31)32)30-16-21(8-11-24(30)28-25)18-4-2-1-3-5-18/h1-14,19-20H,15-18,21H2;1-15,20H,16-19,21H2;1-11,16-17,19H,12-15,18H2;1-11,16,20H,12-15,17H2,(H,31,32)
InChIKeyHOZCNFDIPDHOQQ-UHFFFAOYSA-N
MW2042.97 g/mol
LogP25.22
Rot. Bonds20

About (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

(3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 158544813) has the molecular formula C116H100Cl6N16O5S and a molecular weight of 2042.97 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
PubChem CID158544813
Molecular FormulaC116H100Cl6N16O5S
Molecular Weight2042.97 g/mol
Exact Mass2038.59
IUPAC Name(3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cccc(Cl)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cncs1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/2C31H26Cl2N4O.C28H24ClN5OS.C26H24ClN3O2/c32-26-12-9-23(10-13-26)30-28(37-20-25(11-14-29(37)34-30)22-5-2-1-3-6-22)21-35-15-17-36(18-16-35)31(38)24-7-4-8-27(33)19-24;32-26-11-6-23(7-12-26)30-28(37-20-25(10-15-29(37)34-30)22-4-2-1-3-5-22)21-35-16-18-36(19-17-35)31(38)24-8-13-27(33)14-9-24;29-23-9-6-21(7-10-23)27-24(18-32-12-14-33(15-13-32)28(35)25-16-30-19-36-25)34-17-22(8-11-26(34)31-27)20-4-2-1-3-5-20;27-22-9-6-19(7-10-22)25-23(17-29-14-12-20(13-15-29)26(31)32)30-16-21(8-11-24(30)28-25)18-4-2-1-3-5-18/h1-14,19-20H,15-18,21H2;1-15,20H,16-19,21H2;1-11,16-17,19H,12-15,18H2;1-11,16,20H,12-15,17H2,(H,31,32)
InChIKeyHOZCNFDIPDHOQQ-UHFFFAOYSA-N
XLogP25.22
TPSA193.28 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002042.97
LogP ≤ 525.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid (CID 158544813) is (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cccc(Cl)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1cncs1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is HOZCNFDIPDHOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H26Cl2N4O.C28H24ClN5OS.C26H24ClN3O2/c32-26-12-9-23(10-13-26)30-28(37-20-25(11-14-29(37)34-30)22-5-2-1-3-6-22)21-35-15-17-36(18-16-35)31(38)24-7-4-8-27(33)19-24;32-26-11-6-23(7-12-26)30-28(37-20-25(10-15-29(37)34-30)22-4-2-1-3-5-22)21-35-16-18-36(19-17-35)31(38)24-8-13-27(33)14-9-24;29-23-9-6-21(7-10-23)27-24(18-32-12-14-33(15-13-32)28(35)25-16-30-19-36-25)34-17-22(8-11-26(34)31-27)20-4-2-1-3-5-20;27-22-9-6-19(7-10-22)25-23(17-29-14-12-20(13-15-29)26(31)32)30-16-21(8-11-24(30)28-25)18-4-2-1-3-5-18/h1-14,19-20H,15-18,21H2;1-15,20H,16-19,21H2;1-11,16-17,19H,12-15,18H2;1-11,16,20H,12-15,17H2,(H,31,32).
What are the key properties of (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid?
(3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 2042.97 g/mol, XLogP of 25.22, 20 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-chlorophenyl)-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-5-yl)methanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 158544813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).