(1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane

C85H75F9N4O11 — CID 158101194

About (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane

(1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane (PubChem CID 158101194) has the molecular formula C85H75F9N4O11 and a molecular weight of 1499.53 g/mol. Its IUPAC name is (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane.

Molecular Properties

• Compound Name: (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane
• PubChem CID: 158101194
• Molecular Formula: C85H75F9N4O11
• Molecular Weight: 1499.53 g/mol
• Exact Mass: 1498.53
• IUPAC Name: (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane
• SMILES: C.COc1ccc(C)c(-c2cccc(COc3ccc4c(c3)C[C@H]3[C@H](C(=O)O)[C@@H]43)c2C)c1C.COc1ccn2c(-c3cccc(COc4ccc5c(c4)C[C@H]4[C@H](C(=O)O)[C@@H]54)c3C)c(C(F)(F)F)nc2c1.Cc1c(COc2ccc3c(c2)C[C@H]2[C@H](C(=O)O)[C@@H]32)cccc1-c1c(C(F)(F)F)nc2cc(C(F)(F)F)ccn12
• InChI: InChI=1S/C28H20F6N2O3.C28H23F3N2O4.C28H28O4.CH4/c1-13-14(12-39-17-5-6-19-15(9-17)10-20-22(19)23(20)26(37)38)3-2-4-18(13)24-25(28(32,33)34)35-21-11-16(27(29,30)31)7-8-36(21)24;1-14-15(13-37-18-6-7-20-16(10-18)11-21-23(20)24(21)27(34)35)4-3-5-19(14)25-26(28(29,30)31)32-22-12-17(36-2)8-9-33(22)25;1-15-8-11-24(31-4)17(3)25(15)21-7-5-6-18(16(21)2)14-32-20-9-10-22-19(12-20)13-23-26(22)27(23)28(29)30;/h2-9,11,20,22-23H,10,12H2,1H3,(H,37,38);3-10,12,21,23-24H,11,13H2,1-2H3,(H,34,35);5-12,23,26-27H,13-14H2,1-4H3,(H,29,30);1H4/t20-,22+,23+;21-,23+,24+;23-,26+,27+;/m111./s1
• InChIKey: FPGUWCYBWKQLHS-BRKJORKDSA-N
• XLogP: 19.26
• TPSA: 192.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1499.53
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane?

The IUPAC name of (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane (CID 158101194) is (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane.

What is the SMILES notation for (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane?

The canonical SMILES for (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane is C.COc1ccc(C)c(-c2cccc(COc3ccc4c(c3)C[C@H]3[C@H](C(=O)O)[C@@H]43)c2C)c1C.COc1ccn2c(-c3cccc(COc4ccc5c(c4)C[C@H]4[C@H](C(=O)O)[C@@H]54)c3C)c(C(F)(F)F)nc2c1.Cc1c(COc2ccc3c(c2)C[C@H]2[C@H](C(=O)O)[C@@H]32)cccc1-c1c(C(F)(F)F)nc2cc(C(F)(F)F)ccn12.

What is the InChIKey of (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane?

The InChIKey is FPGUWCYBWKQLHS-BRKJORKDSA-N. The full InChI is InChI=1S/C28H20F6N2O3.C28H23F3N2O4.C28H28O4.CH4/c1-13-14(12-39-17-5-6-19-15(9-17)10-20-22(19)23(20)26(37)38)3-2-4-18(13)24-25(28(32,33)34)35-21-11-16(27(29,30)31)7-8-36(21)24;1-14-15(13-37-18-6-7-20-16(10-18)11-21-23(20)24(21)27(34)35)4-3-5-19(14)25-26(28(29,30)31)32-22-12-17(36-2)8-9-33(22)25;1-15-8-11-24(31-4)17(3)25(15)21-7-5-6-18(16(21)2)14-32-20-9-10-22-19(12-20)13-23-26(22)27(23)28(29)30;/h2-9,11,20,22-23H,10,12H2,1H3,(H,37,38);3-10,12,21,23-24H,11,13H2,1-2H3,(H,34,35);5-12,23,26-27H,13-14H2,1-4H3,(H,29,30);1H4/t20-,22+,23+;21-,23+,24+;23-,26+,27+;/m111./s1.

What are the key properties of (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane?

(1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane has a molecular weight of 1499.53 g/mol, XLogP of 19.26, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,1aS,6aR)-4-[[3-[2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-(3-methoxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;(1S,1aS,6aR)-4-[[3-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid;methane is sourced from PubChem (CID 158101194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).