6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine

C45H42F66N12O7 — CID 161420683

IUPAC6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine
SMILESC.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1N.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(C(N)=O)cn12.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.NC(=O)c1ccc2ncc(C(=O)O)n2c1
InChIInChI=1S/C22H18F2N6O3.C13H13F2N3O.C9H7N3O3.CH4.31F2/c1-11-2-3-12(19-28-21(33-29-19)14-7-22(23,24)8-14)6-15(11)27-20(32)16-9-26-17-5-4-13(18(25)31)10-30(16)17;1-7-2-3-8(4-10(7)16)11-17-12(19-18-11)9-5-13(14,15)6-9;10-8(13)5-1-2-7-11-3-6(9(14)15)12(7)4-5;;31*1-2/h2-6,9-10,14H,7-8H2,1H3,(H2,25,31)(H,27,32);2-4,9H,5-6,16H2,1H3;1-4H,(H2,10,13)(H,14,15);1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVWROTQUJPRSVHV-UHFFFAOYSA-N
MW2116.78 g/mol
LogP33.52
Rot. Bonds9

About 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine

6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine (PubChem CID 161420683) has the molecular formula C45H42F66N12O7 and a molecular weight of 2116.78 g/mol. Its IUPAC name is 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine.

Molecular Properties

Compound Name6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine
PubChem CID161420683
Molecular FormulaC45H42F66N12O7
Molecular Weight2116.78 g/mol
Exact Mass2116.22
IUPAC Name6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine
SMILESC.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1N.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(C(N)=O)cn12.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.NC(=O)c1ccc2ncc(C(=O)O)n2c1
InChIInChI=1S/C22H18F2N6O3.C13H13F2N3O.C9H7N3O3.CH4.31F2/c1-11-2-3-12(19-28-21(33-29-19)14-7-22(23,24)8-14)6-15(11)27-20(32)16-9-26-17-5-4-13(18(25)31)10-30(16)17;1-7-2-3-8(4-10(7)16)11-17-12(19-18-11)9-5-13(14,15)6-9;10-8(13)5-1-2-7-11-3-6(9(14)15)12(7)4-5;;31*1-2/h2-6,9-10,14H,7-8H2,1H3,(H2,25,31)(H,27,32);2-4,9H,5-6,16H2,1H3;1-4H,(H2,10,13)(H,14,15);1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVWROTQUJPRSVHV-UHFFFAOYSA-N
XLogP33.52
TPSA291.04 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.78
LogP ≤ 533.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine with MolForge

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Related Compounds

2-[4-[3-[[5-[5-(3,3-Difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid
CID 71280245
N3-(5-(5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl)-2-methylphenyl)imidazo[1,2-a]pyridine-3,6-dicarboxamide
CID 71280471
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 71280606
Methyl (3,3-difluoro-1-(3-(3-(imidazo[1,2-a]pyridine-3-carboxamido)-4-methylphenyl)-1,2,4-oxadiazol-5-yl)cyclobutyl)carbamate
CID 71280654
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71280693
N-(5-(5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl)-2-methylphenyl)-6-(2-(4-methylpiperazin-1-yl)ethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71280732
N-(5-(5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl)-2-methylphenyl)-7-(piperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71280734
N-(5-(5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl)-2-methylphenyl)-7-(1-(2-hydroxyethyl)-1H-1,2,3-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71280804
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71280813
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280818
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280904
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71280912

Frequently Asked Questions

What is the IUPAC name of 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine?
The IUPAC name of 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine (CID 161420683) is 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine.
What is the SMILES notation for 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine?
The canonical SMILES for 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine is C.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1N.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(C(N)=O)cn12.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.NC(=O)c1ccc2ncc(C(=O)O)n2c1.
What is the InChIKey of 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine?
The InChIKey is VWROTQUJPRSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O3.C13H13F2N3O.C9H7N3O3.CH4.31F2/c1-11-2-3-12(19-28-21(33-29-19)14-7-22(23,24)8-14)6-15(11)27-20(32)16-9-26-17-5-4-13(18(25)31)10-30(16)17;1-7-2-3-8(4-10(7)16)11-17-12(19-18-11)9-5-13(14,15)6-9;10-8(13)5-1-2-7-11-3-6(9(14)15)12(7)4-5;;31*1-2/h2-6,9-10,14H,7-8H2,1H3,(H2,25,31)(H,27,32);2-4,9H,5-6,16H2,1H3;1-4H,(H2,10,13)(H,14,15);1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine?
6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine has a molecular weight of 2116.78 g/mol, XLogP of 33.52, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine is sourced from PubChem (CID 161420683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).