bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride

C47H55Cl5N8O7 — CID 162099369

About bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride

bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride (PubChem CID 162099369) has the molecular formula C47H55Cl5N8O7 and a molecular weight of 1021.27 g/mol. Its IUPAC name is bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride.

Molecular Properties

• Compound Name: bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride
• PubChem CID: 162099369
• Molecular Formula: C47H55Cl5N8O7
• Molecular Weight: 1021.27 g/mol
• Exact Mass: 1018.26
• IUPAC Name: bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride
• SMILES: C.CCCN1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.CCCN1CCNCC1.Cl.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C=O.O=C=O
• InChI: InChI=1S/C22H24Cl2N4O.C15H10Cl2N2O2.C7H16N2.2CO2.CH4.ClH/c1-2-9-26-10-12-27(13-11-26)21(29)14-19-22(16-3-5-17(23)6-4-16)25-20-8-7-18(24)15-28(19)20;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*2-1-3;;/h3-8,15H,2,9-14H2,1H3;1-6,8H,7H2,(H,20,21);8H,2-7H2,1H3;;;1H4;1H
• InChIKey: KDQPYGCMUBLPMK-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 179.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.27
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride?

The IUPAC name of bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride (CID 162099369) is bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride.

What is the SMILES notation for bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride?

The canonical SMILES for bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride is C.CCCN1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.CCCN1CCNCC1.Cl.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride?

The InChIKey is KDQPYGCMUBLPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O.C15H10Cl2N2O2.C7H16N2.2CO2.CH4.ClH/c1-2-9-26-10-12-27(13-11-26)21(29)14-19-22(16-3-5-17(23)6-4-16)25-20-8-7-18(24)15-28(19)20;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*2-1-3;;/h3-8,15H,2,9-14H2,1H3;1-6,8H,7H2,(H,20,21);8H,2-7H2,1H3;;;1H4;1H.

What are the key properties of bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride?

bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride has a molecular weight of 1021.27 g/mol, XLogP of 8.53, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(4-propylpiperazin-1-yl)ethanone;methane;1-propylpiperazine;hydrochloride is sourced from PubChem (CID 162099369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).