carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride

C49H57Cl5N6O7 — CID 159490611

IUPACcarbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride
SMILESC.CCCC1CCNCC1.CCOC(=O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.Cl.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C=O
InChIInChI=1S/C24H25Cl2N3O3.C15H10Cl2N2O2.C8H17N.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;16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15;1-2-3-8-4-6-9-7-5-8;2-1-3;;/h3-8,15-16H,2,9-14H2,1H3;1-6,8H,7H2,(H,20,21);8-9H,2-7H2,1H3;;1H4;1H
InChIKeyASGLEAGSZBFUGK-UHFFFAOYSA-N
MW1019.29 g/mol
LogP11.24
Rot. Bonds11

About carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride

carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride (PubChem CID 159490611) has the molecular formula C49H57Cl5N6O7 and a molecular weight of 1019.29 g/mol. Its IUPAC name is carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride.

Molecular Properties

Compound Namecarbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride
PubChem CID159490611
Molecular FormulaC49H57Cl5N6O7
Molecular Weight1019.29 g/mol
Exact Mass1016.27
IUPAC Namecarbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride
SMILESC.CCCC1CCNCC1.CCOC(=O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.Cl.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C=O
InChIInChI=1S/C24H25Cl2N3O3.C15H10Cl2N2O2.C8H17N.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;16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15;1-2-3-8-4-6-9-7-5-8;2-1-3;;/h3-8,15-16H,2,9-14H2,1H3;1-6,8H,7H2,(H,20,21);8-9H,2-7H2,1H3;;1H4;1H
InChIKeyASGLEAGSZBFUGK-UHFFFAOYSA-N
XLogP11.24
TPSA164.68 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001019.29
LogP ≤ 511.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride with MolForge

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Related Compounds

1-{2-[6-Chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acetyl}-piperidine-3-carboxylic acid ethyl ester
CID 11328655
1-{2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acetyl}-piperidine-3-carboxylic acid ethyl ester
CID 11352415
Ethyl 3-(4-chlorophenyl)-2-[5-[[2-(4-chlorophenyl)-4-methylpentyl]carbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 89521343
Ethyl 2-[5-[[2-(4-chlorophenyl)-4-methylpentyl]carbamoyl]imidazo[1,2-a]pyridin-2-yl]-3-pyridin-2-ylpropanoate
CID 89521658
2-[5-[[2-(4-Chlorophenyl)-4-methylpentyl]carbamoyl]imidazo[1,2-a]pyridin-2-yl]-3-pyridin-2-ylpropanoic acid
CID 89528582
3-[6-(6-Chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid;dihydrochloride
CID 142763437
Ethyl 2-[5-[[4-chloro-2-(4-chlorophenyl)pentyl]carbamoyl]imidazo[1,2-a]pyridin-2-yl]-3-pyridin-2-ylpropanoate
CID 143685722
5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one
CID 145424767
5-[2-[(1R)-1-[[(1S)-1-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]butyl]amino]ethyl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one
CID 156281482
Ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate
CID 156575498
(3S)-1-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylbutan-1-one;1-(3-methoxypropyl)-2-[(3R)-piperidin-3-yl]benzimidazole;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 157147783
3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;N-methyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 157462016

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;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;4-propylpiperidine;hydrochloride?
The IUPAC name of carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride (CID 159490611) is carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride.
What is the SMILES notation for carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride?
The canonical SMILES for carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride is C.CCCC1CCNCC1.CCOC(=O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.Cl.O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.O=C=O.
What is the InChIKey of carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride?
The InChIKey is ASGLEAGSZBFUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3.C15H10Cl2N2O2.C8H17N.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;16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15;1-2-3-8-4-6-9-7-5-8;2-1-3;;/h3-8,15-16H,2,9-14H2,1H3;1-6,8H,7H2,(H,20,21);8-9H,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;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;4-propylpiperidine;hydrochloride?
carbon dioxide;2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-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;4-propylpiperidine;hydrochloride has a molecular weight of 1019.29 g/mol, XLogP of 11.24, 11 rotatable bonds, 2 hydrogen bond donors, and 11 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;ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate;methane;4-propylpiperidine;hydrochloride is sourced from PubChem (CID 159490611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).