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

C48H41F6N7O5S2 — CID 160738021

IUPAC3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-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(-c3ccoc3)cn2c1C1CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1)C1CC=C(c2nccs2)C1
InChIInChI=1S/C24H18F3N3O2S.C16H11F3N2O3.C7H8N2S.CH4/c25-24(26,27)18-10-17(16-5-7-32-12-16)11-30-20(13-1-2-13)19(29-22(18)30)21(31)14-3-4-15(9-14)23-28-6-8-33-23;17-16(18,19)11-5-10(9-3-4-24-7-9)6-21-13(8-1-2-8)12(15(22)23)20-14(11)21;1-2-8-5-6(1)7-9-3-4-10-7;/h4-8,10-14H,1-3,9H2;3-8H,1-2H2,(H,22,23);1,3-4,8H,2,5H2;1H4
InChIKeyRVEZGBGBKIITAN-UHFFFAOYSA-N
MW974.02 g/mol
LogP12.58
Rot. Bonds9

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

3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane (PubChem CID 160738021) has the molecular formula C48H41F6N7O5S2 and a molecular weight of 974.02 g/mol. Its IUPAC name is 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane.

Molecular Properties

Compound Name3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane
PubChem CID160738021
Molecular FormulaC48H41F6N7O5S2
Molecular Weight974.02 g/mol
Exact Mass973.25
IUPAC Name3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-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(-c3ccoc3)cn2c1C1CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1)C1CC=C(c2nccs2)C1
InChIInChI=1S/C24H18F3N3O2S.C16H11F3N2O3.C7H8N2S.CH4/c25-24(26,27)18-10-17(16-5-7-32-12-16)11-30-20(13-1-2-13)19(29-22(18)30)21(31)14-3-4-15(9-14)23-28-6-8-33-23;17-16(18,19)11-5-10(9-3-4-24-7-9)6-21-13(8-1-2-8)12(15(22)23)20-14(11)21;1-2-8-5-6(1)7-9-3-4-10-7;/h4-8,10-14H,1-3,9H2;3-8H,1-2H2,(H,22,23);1,3-4,8H,2,5H2;1H4
InChIKeyRVEZGBGBKIITAN-UHFFFAOYSA-N
XLogP12.58
TPSA153.06 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.02
LogP ≤ 512.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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

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Related Compounds

(6-Furan-3-yl-3-hydroxymethyl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-(3-thiazol-2-yl-2,5-dihydro-pyrrol-1-yl)-methanone
CID 46864353
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-hydroxy-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 46864758
(3-Cyclopropyl-6-furan-3-yl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-(3-thiazol-2-yl-2,5-dihydro-pyrrol-1-yl)-methanone
CID 46864811
6-Furan-3-yl-3-[(thiophen-2-ylmethyl)-amino]-8-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
CID 57774919
[3-Cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone
CID 59443886
2-[6-(Furan-3-yl)-3-(hydroxymethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(1,3-thiazol-2-yl)-2,5-dihydropyrrole-1-carbaldehyde
CID 87574938
2-[6-(Furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
CID 91468305
2-Ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane
CID 143763042
Ethane;[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone;propane
CID 144037325
[6-(Furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)-2,5-dihydropyrrol-1-yl]methanone
CID 144037326
N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
Sodium;3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;hydroxide
CID 157862846

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?
The IUPAC name of 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane (CID 160738021) is 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane.
What is the SMILES notation for 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?
The canonical SMILES for 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-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(-c3ccoc3)cn2c1C1CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1)C1CC=C(c2nccs2)C1.
What is the InChIKey of 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?
The InChIKey is RVEZGBGBKIITAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S.C16H11F3N2O3.C7H8N2S.CH4/c25-24(26,27)18-10-17(16-5-7-32-12-16)11-30-20(13-1-2-13)19(29-22(18)30)21(31)14-3-4-15(9-14)23-28-6-8-33-23;17-16(18,19)11-5-10(9-3-4-24-7-9)6-21-13(8-1-2-8)12(15(22)23)20-14(11)21;1-2-8-5-6(1)7-9-3-4-10-7;/h4-8,10-14H,1-3,9H2;3-8H,1-2H2,(H,22,23);1,3-4,8H,2,5H2;1H4.
What are the key properties of 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane?
3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane has a molecular weight of 974.02 g/mol, XLogP of 12.58, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-cyclopropyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(1,3-thiazol-2-yl)cyclopent-3-en-1-yl]methanone;2-(2,5-dihydro-1H-pyrrol-3-yl)-1,3-thiazole;methane is sourced from PubChem (CID 160738021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).