bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide

C60H63F2N11O11 — CID 159957447

IUPACbis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1cnc2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cn12.CN(C)C(=O)C(=O)c1cnc2ccc(C(=O)O)cn12.CN(C)C(=O)C(=O)c1cnc2ccc(C(=O)O)cn12.Fc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C24H25FN4O3.C12H16FN.2C12H11N3O4/c1-27(2)24(32)22(30)20-14-26-21-8-5-18(15-29(20)21)23(31)28-11-9-17(10-12-28)13-16-3-6-19(25)7-4-16;13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;2*1-14(2)11(17)10(16)8-5-13-9-4-3-7(12(18)19)6-15(8)9/h3-8,14-15,17H,9-13H2,1-2H3;1-4,11,14H,5-9H2;2*3-6H,1-2H3,(H,18,19)
InChIKeyOCWXEFFPTQZUSH-UHFFFAOYSA-N
MW1152.23 g/mol
LogP5.81
Rot. Bonds13

About bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide

bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 159957447) has the molecular formula C60H63F2N11O11 and a molecular weight of 1152.23 g/mol. Its IUPAC name is bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Namebis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID159957447
Molecular FormulaC60H63F2N11O11
Molecular Weight1152.23 g/mol
Exact Mass1151.47
IUPAC Namebis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1cnc2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cn12.CN(C)C(=O)C(=O)c1cnc2ccc(C(=O)O)cn12.CN(C)C(=O)C(=O)c1cnc2ccc(C(=O)O)cn12.Fc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C24H25FN4O3.C12H16FN.2C12H11N3O4/c1-27(2)24(32)22(30)20-14-26-21-8-5-18(15-29(20)21)23(31)28-11-9-17(10-12-28)13-16-3-6-19(25)7-4-16;13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;2*1-14(2)11(17)10(16)8-5-13-9-4-3-7(12(18)19)6-15(8)9/h3-8,14-15,17H,9-13H2,1-2H3;1-4,11,14H,5-9H2;2*3-6H,1-2H3,(H,18,19)
InChIKeyOCWXEFFPTQZUSH-UHFFFAOYSA-N
XLogP5.81
TPSA270.98 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.23
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide with MolForge

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Related Compounds

4-(7-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-1(3R)-3-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-2-pyridyl]-amino]-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156153083
4-(8-fluoroimidazo [1,2-a]pyridin-3-yl)-7-[[5-[(3S)-3-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]-2-pyridyl]-amino]-2,3-dihydropyrrolo [3,4-c]pyridin-1-one
CID 156162950
6-[4-[[(3R)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 25027621
6-[4-[[1-[9-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(2,2,2-trifluoroacetyl)oxymethyl]oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 68836876
6-[4-[[(3R)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(2,2,2-trifluoroacetyl)oxymethyl]oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 68964065
ethyl 6-[4-[[(3R)-1-[6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5R)-3-hydroxy-5-methyl-4-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]purin-2-yl]pyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
CID 69018696
3-[Acetyl-[5-fluoro-3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]acetyl]-2-pyridinyl]amino]benzoic acid
CID 70295600
2-(5-Fluoro-2-(hydroxymethyl)-3-(8-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)imidazo[1,2-a]pyridin-6-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one
CID 71553863
1-[3-[7-[5-(1H-imidazol-5-yl)pentanoyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 91017121
N-(2,2-difluoroethyl)-6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 122478588
1-amino-5,5,5-trifluoropentan-2-one;methyl 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 123960519
2-[3-[3-[2-[4-[(6-Fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]ethyl]-6-methyl-2,4-dioxo-1,8-naphthyridin-1-yl]phenyl]benzoic acid
CID 143720046

Frequently Asked Questions

What is the IUPAC name of bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 159957447) is bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1cnc2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cn12.CN(C)C(=O)C(=O)c1cnc2ccc(C(=O)O)cn12.CN(C)C(=O)C(=O)c1cnc2ccc(C(=O)O)cn12.Fc1ccc(CC2CCNCC2)cc1.
What is the InChIKey of bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is OCWXEFFPTQZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3.C12H16FN.2C12H11N3O4/c1-27(2)24(32)22(30)20-14-26-21-8-5-18(15-29(20)21)23(31)28-11-9-17(10-12-28)13-16-3-6-19(25)7-4-16;13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11;2*1-14(2)11(17)10(16)8-5-13-9-4-3-7(12(18)19)6-15(8)9/h3-8,14-15,17H,9-13H2,1-2H3;1-4,11,14H,5-9H2;2*3-6H,1-2H3,(H,18,19).
What are the key properties of bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 1152.23 g/mol, XLogP of 5.81, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylic acid);4-[(4-fluorophenyl)methyl]piperidine;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 159957447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).