carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride

C91H97Cl9N14O13 — CID 160705204

About carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride

carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride (PubChem CID 160705204) has the molecular formula C91H97Cl9N14O13 and a molecular weight of 1913.94 g/mol. Its IUPAC name is carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride.

Molecular Properties

• Compound Name: carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride
• PubChem CID: 160705204
• Molecular Formula: C91H97Cl9N14O13
• Molecular Weight: 1913.94 g/mol
• Exact Mass: 1908.46
• IUPAC Name: carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride
• SMILES: C.CCCN1CCNCC1.CCOC(=O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.Cl.O=C(O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C=O.O=COCN1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1
• InChI: InChI=1S/C24H25Cl2N3O3.C22H21Cl2N3O3.C21H20Cl2N4O3.C15H10Cl2N2O2.C7H16N2.CO2.CH4.ClH/c1-2-32-23(31)13-16-9-11-28(12-10-16)22(30)14-20-24(17-3-5-18(25)6-4-17)27-21-8-7-19(26)15-29(20)21;23-16-3-1-15(2-4-16)22-18(27-13-17(24)5-6-19(27)25-22)12-20(28)26-9-7-14(8-10-26)11-21(29)30;22-16-3-1-15(2-4-16)21-18(27-12-17(23)5-6-19(27)24-21)11-20(29)26-9-7-25(8-10-26)13-30-14-28;16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15;1-2-5-9-6-3-8-4-7-9;2-1-3;;/h3-8,15-16H,2,9-14H2,1H3;1-6,13-14H,7-12H2,(H,29,30);1-6,12,14H,7-11,13H2;1-6,8H,7H2,(H,20,21);8H,2-7H2,1H3;;1H4;1H
• InChIKey: NNUAXHCYQWMWDT-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 309.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1913.94
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride?

The IUPAC name of carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride (CID 160705204) is carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride.

What is the SMILES notation for carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride?

The canonical SMILES for carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride is C.CCCN1CCNCC1.CCOC(=O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.Cl.O=C(O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C=O.O=COCN1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.

What is the InChIKey of carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride?

The InChIKey is NNUAXHCYQWMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3.C22H21Cl2N3O3.C21H20Cl2N4O3.C15H10Cl2N2O2.C7H16N2.CO2.CH4.ClH/c1-2-32-23(31)13-16-9-11-28(12-10-16)22(30)14-20-24(17-3-5-18(25)6-4-17)27-21-8-7-19(26)15-29(20)21;23-16-3-1-15(2-4-16)22-18(27-13-17(24)5-6-19(27)25-22)12-20(28)26-9-7-14(8-10-26)11-21(29)30;22-16-3-1-15(2-4-16)21-18(27-12-17(23)5-6-19(27)24-21)11-20(29)26-9-7-25(8-10-26)13-30-14-28;16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15;1-2-5-9-6-3-8-4-7-9;2-1-3;;/h3-8,15-16H,2,9-14H2,1H3;1-6,13-14H,7-12H2,(H,29,30);1-6,12,14H,7-11,13H2;1-6,8H,7H2,(H,20,21);8H,2-7H2,1H3;;1H4;1H.

What are the key properties of carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride?

carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride has a molecular weight of 1913.94 g/mol, XLogP of 17.44, 22 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;[4-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperazin-1-yl]methyl formate;2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetic acid;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;1-propylpiperazine;hydrochloride is sourced from PubChem (CID 160705204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).