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

C49H47F7N10O10 — CID 157315583

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

2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-fluoroethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;methane (PubChem CID 157315583) has the molecular formula C49H47F7N10O10 and a molecular weight of 1068.96 g/mol. Its IUPAC name is 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-fluoroethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;methane.

Molecular Properties

• Compound Name: 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-fluoroethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;methane
• PubChem CID: 157315583
• Molecular Formula: C49H47F7N10O10
• Molecular Weight: 1068.96 g/mol
• Exact Mass: 1068.34
• IUPAC Name: 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-fluoroethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;methane
• SMILES: C.COc1cc(-c2cnc3cc(-c4cnn(CC(=O)O)c4)ccn23)cc(OC)c1C(=O)NCC(F)(F)F.COc1cc(-c2cnc3cc(-c4cnn(CC(=O)OCCF)c4)ccn23)cc(OC)c1C(=O)NCC(F)(F)F
• InChI: InChI=1S/C25H23F4N5O5.C23H20F3N5O5.CH4/c1-37-19-7-16(8-20(38-2)23(19)24(36)31-14-25(27,28)29)18-11-30-21-9-15(3-5-34(18)21)17-10-32-33(12-17)13-22(35)39-6-4-26;1-35-17-5-14(6-18(36-2)21(17)22(34)28-12-23(24,25)26)16-9-27-19-7-13(3-4-31(16)19)15-8-29-30(10-15)11-20(32)33;/h3,5,7-12H,4,6,13-14H2,1-2H3,(H,31,36);3-10H,11-12H2,1-2H3,(H,28,34)(H,32,33);1H4
• InChIKey: BDNZJWGTLUIWPN-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 228.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1068.96
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-fluoroethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;methane (CID 157315583) is 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-fluoroethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;methane.

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

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

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

The InChIKey is BDNZJWGTLUIWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N5O5.C23H20F3N5O5.CH4/c1-37-19-7-16(8-20(38-2)23(19)24(36)31-14-25(27,28)29)18-11-30-21-9-15(3-5-34(18)21)17-10-32-33(12-17)13-22(35)39-6-4-26;1-35-17-5-14(6-18(36-2)21(17)22(34)28-12-23(24,25)26)16-9-27-19-7-13(3-4-31(16)19)15-8-29-30(10-15)11-20(32)33;/h3,5,7-12H,4,6,13-14H2,1-2H3,(H,31,36);3-10H,11-12H2,1-2H3,(H,28,34)(H,32,33);1H4.

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

2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-fluoroethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;methane has a molecular weight of 1068.96 g/mol, XLogP of 7.58, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetic acid;2-fluoroethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]acetate;methane is sourced from PubChem (CID 157315583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).