6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

C35H33Cl2F10N5O3S2 — CID 161380757

IUPAC6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(S(F)(F)(F)(F)F)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C18H16ClF5N2OS.C10H9ClN2O2.C7H8F5NS/c1-2-15-18(26-11-13(19)6-10-17(26)25-15)16(27)9-5-12-3-7-14(8-4-12)28(20,21,22,23)24;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h3-4,6-8,10-11H,2,5,9H2,1H3;3-5H,2H2,1H3,(H,14,15);1-4H,5,13H2
InChIKeyVRRPBBBMZRMSSX-UHFFFAOYSA-N
MW896.70 g/mol
LogP13.07
Rot. Bonds10

About 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (PubChem CID 161380757) has the molecular formula C35H33Cl2F10N5O3S2 and a molecular weight of 896.70 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
PubChem CID161380757
Molecular FormulaC35H33Cl2F10N5O3S2
Molecular Weight896.70 g/mol
Exact Mass895.12
IUPAC Name6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(S(F)(F)(F)(F)F)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C18H16ClF5N2OS.C10H9ClN2O2.C7H8F5NS/c1-2-15-18(26-11-13(19)6-10-17(26)25-15)16(27)9-5-12-3-7-14(8-4-12)28(20,21,22,23)24;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h3-4,6-8,10-11H,2,5,9H2,1H3;3-5H,2H2,1H3,(H,14,15);1-4H,5,13H2
InChIKeyVRRPBBBMZRMSSX-UHFFFAOYSA-N
XLogP13.07
TPSA114.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.70
LogP ≤ 513.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[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

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
6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
CID 167597986
8-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;8-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
CID 167675724
6-[(2-Chlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[(3,5-dichlorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 145416464
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
2-(2-Chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide;2-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxylic acid;methane
CID 157847416
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
6-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-lambda6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine
CID 158172427
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 158534383
3-(4-bromophenyl)-1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)propan-1-one;(4-bromophenyl)methanamine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]propan-1-one;1-ethenyl-4-fluorobenzene
CID 158580851
Chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-lambda6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine
CID 159163594
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;chloromethane;[3-(pentafluoro-lambda6-sulfanyl)phenyl]methanamine
CID 159481034

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[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 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (CID 161380757) is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[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 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[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 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(S(F)(F)(F)(F)F)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The InChIKey is VRRPBBBMZRMSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF5N2OS.C10H9ClN2O2.C7H8F5NS/c1-2-15-18(26-11-13(19)6-10-17(26)25-15)16(27)9-5-12-3-7-14(8-4-12)28(20,21,22,23)24;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h3-4,6-8,10-11H,2,5,9H2,1H3;3-5H,2H2,1H3,(H,14,15);1-4H,5,13H2.
What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[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 896.70 g/mol, XLogP of 13.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[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 161380757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).