3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane

C43H38Cl2F6N8O3S2 — CID 158208525

IUPAC3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane
SMILESC.C1=C(c2nccs2)CNC1.O=C(O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C21H16ClF3N4OS.C14H10ClF3N2O2.C7H8N2S.CH4/c22-17-16(20(30)28-7-5-13(10-28)19-26-6-8-31-19)27-18-15(21(23,24)25)9-14(11-29(17)18)12-3-1-2-4-12;15-11-10(13(21)22)19-12-9(14(16,17)18)5-8(6-20(11)12)7-3-1-2-4-7;1-2-8-5-6(1)7-9-3-4-10-7;/h3,5-6,8-9,11H,1-2,4,7,10H2;3,5-6H,1-2,4H2,(H,21,22);1,3-4,8H,2,5H2;1H4
InChIKeyGBTZQBMTNOERIC-UHFFFAOYSA-N
MW963.86 g/mol
LogP11.61
Rot. Bonds6

About 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane

3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane (PubChem CID 158208525) has the molecular formula C43H38Cl2F6N8O3S2 and a molecular weight of 963.86 g/mol. Its IUPAC name is 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane.

Molecular Properties

Compound Name3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane
PubChem CID158208525
Molecular FormulaC43H38Cl2F6N8O3S2
Molecular Weight963.86 g/mol
Exact Mass962.18
IUPAC Name3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane
SMILESC.C1=C(c2nccs2)CNC1.O=C(O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl)N1CC=C(c2nccs2)C1
InChIInChI=1S/C21H16ClF3N4OS.C14H10ClF3N2O2.C7H8N2S.CH4/c22-17-16(20(30)28-7-5-13(10-28)19-26-6-8-31-19)27-18-15(21(23,24)25)9-14(11-29(17)18)12-3-1-2-4-12;15-11-10(13(21)22)19-12-9(14(16,17)18)5-8(6-20(11)12)7-3-1-2-4-7;1-2-8-5-6(1)7-9-3-4-10-7;/h3,5-6,8-9,11H,1-2,4,7,10H2;3,5-6H,1-2,4H2,(H,21,22);1,3-4,8H,2,5H2;1H4
InChIKeyGBTZQBMTNOERIC-UHFFFAOYSA-N
XLogP11.61
TPSA130.02 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.86
LogP ≤ 511.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane with MolForge

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Related Compounds

(3-Chloro-6-cyclopent-1-enyl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-(3-thiazol-2-yl-2,5-dihydro-pyrrol-1-yl)-methanone
CID 46847946
[3-Chloro-6-pyridin-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
CID 46864814
[3-Chloro-6-(cyclohexen-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
CID 46864815
[3-Chloro-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl]-(3-thiazol-2-yl-2,5-dihydro-pyrrol-1-yl)-methanone
CID 46864859
4-[6-Butyl-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 51355059
3-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]
CID 57775027
N-(4-{3-Chloro-2-[3-(3-fluoro-phenyl)-pyrrolidine-1-carbonyl]-8-trifluoromethyl-imidazo[1,2-a]pyridin-6-yl}-thiazol-2-yl)-acetamide
CID 57775048
[3-chloro-6-(1H-pyrrol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 59443896
[3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
CID 59443976
2-[3-Chloro-2-(thiophen-2-ylmethylcarbamoyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrrole-1-carboxylic acid
CID 68746652
4-[3-chloro-2-(3-thiazol-2-yl-2,5-dihydro-pyrrole-1-carbonyl)-8-trifluoromethyl-imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 68786984
4-Tert-butyl-5-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-1,3-thiazole-2-carboxylic acid
CID 139491116

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?
The IUPAC name of 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane (CID 158208525) is 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane.
What is the SMILES notation for 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?
The canonical SMILES for 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane is C.C1=C(c2nccs2)CNC1.O=C(O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl)N1CC=C(c2nccs2)C1.
What is the InChIKey of 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?
The InChIKey is GBTZQBMTNOERIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4OS.C14H10ClF3N2O2.C7H8N2S.CH4/c22-17-16(20(30)28-7-5-13(10-28)19-26-6-8-31-19)27-18-15(21(23,24)25)9-14(11-29(17)18)12-3-1-2-4-12;15-11-10(13(21)22)19-12-9(14(16,17)18)5-8(6-20(11)12)7-3-1-2-4-7;1-2-8-5-6(1)7-9-3-4-10-7;/h3,5-6,8-9,11H,1-2,4,7,10H2;3,5-6H,1-2,4H2,(H,21,22);1,3-4,8H,2,5H2;1H4.
What are the key properties of 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?
3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane has a molecular weight of 963.86 g/mol, XLogP of 11.61, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-6-(cyclopenten-1-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane is sourced from PubChem (CID 158208525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).