2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

C35H35F10N5O3S2 — CID 158534383

IUPAC2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
SMILESCc1ccn2c(C(=O)CCc3ccc(S(F)(F)(F)(F)F)cc3)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C18H17F5N2OS.C10H10N2O2.C7H8F5NS/c1-12-9-10-25-17(11-12)24-13(2)18(25)16(26)8-5-14-3-6-15(7-4-14)27(19,20,21,22)23;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h3-4,6-7,9-11H,5,8H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,13H2
InChIKeyHNTNXCNLUBBSRJ-UHFFFAOYSA-N
MW827.81 g/mol
LogP11.88
Rot. Bonds8

About 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (PubChem CID 158534383) has the molecular formula C35H35F10N5O3S2 and a molecular weight of 827.81 g/mol. Its IUPAC name is 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
PubChem CID158534383
Molecular FormulaC35H35F10N5O3S2
Molecular Weight827.81 g/mol
Exact Mass827.20
IUPAC Name2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
SMILESCc1ccn2c(C(=O)CCc3ccc(S(F)(F)(F)(F)F)cc3)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C18H17F5N2OS.C10H10N2O2.C7H8F5NS/c1-12-9-10-25-17(11-12)24-13(2)18(25)16(26)8-5-14-3-6-15(7-4-14)27(19,20,21,22)23;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h3-4,6-7,9-11H,5,8H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,13H2
InChIKeyHNTNXCNLUBBSRJ-UHFFFAOYSA-N
XLogP11.88
TPSA114.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.81
LogP ≤ 511.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine with MolForge

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Related Compounds

6-[[2-[2-[5-Carboxy-6-[(3,4,5-trifluorophenyl)methylamino]indolizin-2-yl]-1-methyl-2,3,6,7-tetrahydroazepin-4-yl]phenyl]methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 132216796
Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methanamine
CID 159245797
6-(Aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 161051478
Chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;[4-(trifluoromethyl)phenyl]methanamine
CID 161083261
2-Ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
CID 167624060
2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
CID 167666153
7-[(2-Butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 19044767
7-[(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 19044770
7-[(2-Butylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 19044773
7-[(2-Butyl-4-methyl-5-sulfanylcarbonylimidazol-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 88424874
6-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(pentafluoro-lambda6-sulfanyl)phenyl]propan-1-one;[3-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine
CID 157798332
Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-lambda6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine
CID 157944991

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The IUPAC name of 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (CID 158534383) is 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.
What is the SMILES notation for 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The canonical SMILES for 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is Cc1ccn2c(C(=O)CCc3ccc(S(F)(F)(F)(F)F)cc3)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The InChIKey is HNTNXCNLUBBSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2OS.C10H10N2O2.C7H8F5NS/c1-12-9-10-25-17(11-12)24-13(2)18(25)16(26)8-5-14-3-6-15(7-4-14)27(19,20,21,22)23;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h3-4,6-7,9-11H,5,8H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,13H2.
What are the key properties of 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine has a molecular weight of 827.81 g/mol, XLogP of 11.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is sourced from PubChem (CID 158534383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).