cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane

C54H54F6N8O10 — CID 157259720

About cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane

cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane (PubChem CID 157259720) has the molecular formula C54H54F6N8O10 and a molecular weight of 1089.06 g/mol. Its IUPAC name is cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane.

Molecular Properties

• Compound Name: cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane
• PubChem CID: 157259720
• Molecular Formula: C54H54F6N8O10
• Molecular Weight: 1089.06 g/mol
• Exact Mass: 1088.39
• IUPAC Name: cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane
• SMILES: C.COc1cc(-c2cnc3cc(-c4cnn(CC(=O)O)c4)ccn23)cc(OC)c1C(=O)CCC(F)(F)F.COc1cc(-c2cnc3cc(-c4cnn(CC(=O)OCC5CCC5)c4)ccn23)cc(OC)c1C(=O)CCC(F)(F)F
• InChI: InChI=1S/C29H29F3N4O5.C24H21F3N4O5.CH4/c1-39-24-10-20(11-25(40-2)28(24)23(37)6-8-29(30,31)32)22-14-33-26-12-19(7-9-36(22)26)21-13-34-35(15-21)16-27(38)41-17-18-4-3-5-18;1-35-19-7-15(8-20(36-2)23(19)18(32)3-5-24(25,26)27)17-11-28-21-9-14(4-6-31(17)21)16-10-29-30(12-16)13-22(33)34;/h7,9-15,18H,3-6,8,16-17H2,1-2H3;4,6-12H,3,5,13H2,1-2H3,(H,33,34);1H4
• InChIKey: AXHUYCTWEQTCKY-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 204.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1089.06
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane?

The IUPAC name of cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane (CID 157259720) is cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane.

What is the SMILES notation for cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane?

The canonical SMILES for cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane is C.COc1cc(-c2cnc3cc(-c4cnn(CC(=O)O)c4)ccn23)cc(OC)c1C(=O)CCC(F)(F)F.COc1cc(-c2cnc3cc(-c4cnn(CC(=O)OCC5CCC5)c4)ccn23)cc(OC)c1C(=O)CCC(F)(F)F.

What is the InChIKey of cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane?

The InChIKey is AXHUYCTWEQTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O5.C24H21F3N4O5.CH4/c1-39-24-10-20(11-25(40-2)28(24)23(37)6-8-29(30,31)32)22-14-33-26-12-19(7-9-36(22)26)21-13-34-35(15-21)16-27(38)41-17-18-4-3-5-18;1-35-19-7-15(8-20(36-2)23(19)18(32)3-5-24(25,26)27)17-11-28-21-9-14(4-6-31(17)21)16-10-29-30(12-16)13-22(33)34;/h7,9-15,18H,3-6,8,16-17H2,1-2H3;4,6-12H,3,5,13H2,1-2H3,(H,33,34);1H4.

What are the key properties of cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane?

cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane has a molecular weight of 1089.06 g/mol, XLogP of 10.88, 20 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutylmethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;methane is sourced from PubChem (CID 157259720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).