1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea

C118H112F18N26O13 — CID 159123331

About 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 159123331) has the molecular formula C118H112F18N26O13 and a molecular weight of 2444.33 g/mol. Its IUPAC name is 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 159123331
• Molecular Formula: C118H112F18N26O13
• Molecular Weight: 2444.33 g/mol
• Exact Mass: 2442.86
• IUPAC Name: 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: CC(C)Oc1cc(CC(=O)CCC(C)(F)F)cc(-c2cnc3cc(C(=O)C4CC4)ccn23)c1.CC(C)Oc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(C)(F)F)n4)ccn23)c1.COCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(C)(F)F)n4)ccn23)c1.COCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4nnc(C)o4)ccn23)c1.Cc1nnc(-c2ccn3c(-c4cc(NC(=O)NCC(F)(F)F)cc(OC(C)C)c4)cnc3c2)o1
• InChI: InChI=1S/C26H28F2N2O3.C25H23F5N6O2.C24H21F5N6O2.C22H21F3N6O3.C21H19F3N6O3/c1-16(2)33-22-12-17(11-21(31)6-8-26(3,27)28)10-20(13-22)23-15-29-24-14-19(7-9-30(23)24)25(32)18-4-5-18;1-14(2)38-18-9-16(8-17(11-18)34-23(37)33-13-25(28,29)30)20-12-32-21-10-15(5-7-36(20)21)19-4-6-31-22(35-19)24(3,26)27;1-23(25,26)21-30-5-3-18(34-21)15-4-6-35-19(11-31-20(35)10-15)16-7-14(12-37-2)8-17(9-16)33-22(36)32-13-24(27,28)29;1-12(2)33-17-7-15(6-16(9-17)28-21(32)27-11-22(23,24)25)18-10-26-19-8-14(4-5-31(18)19)20-30-29-13(3)34-20;1-12-28-29-19(33-12)14-3-4-30-17(9-25-18(30)8-14)15-5-13(10-32-2)6-16(7-15)27-20(31)26-11-21(22,23)24/h7,9-10,12-16,18H,4-6,8,11H2,1-3H3;4-12,14H,13H2,1-3H3,(H2,33,34,37);3-11H,12-13H2,1-2H3,(H2,32,33,36);4-10,12H,11H2,1-3H3,(H2,27,28,32);3-9H,10-11H2,1-2H3,(H2,26,27,31)
• InChIKey: KFYWWGOHVODSED-UHFFFAOYSA-N
• XLogP: 26.39
• TPSA: 460.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2444.33
LogP ≤ 5	26.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea (CID 159123331) is 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea is CC(C)Oc1cc(CC(=O)CCC(C)(F)F)cc(-c2cnc3cc(C(=O)C4CC4)ccn23)c1.CC(C)Oc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(C)(F)F)n4)ccn23)c1.COCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(C)(F)F)n4)ccn23)c1.COCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4nnc(C)o4)ccn23)c1.Cc1nnc(-c2ccn3c(-c4cc(NC(=O)NCC(F)(F)F)cc(OC(C)C)c4)cnc3c2)o1.

What is the InChIKey of 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is KFYWWGOHVODSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O3.C25H23F5N6O2.C24H21F5N6O2.C22H21F3N6O3.C21H19F3N6O3/c1-16(2)33-22-12-17(11-21(31)6-8-26(3,27)28)10-20(13-22)23-15-29-24-14-19(7-9-30(23)24)25(32)18-4-5-18;1-14(2)38-18-9-16(8-17(11-18)34-23(37)33-13-25(28,29)30)20-12-32-21-10-15(5-7-36(20)21)19-4-6-31-22(35-19)24(3,26)27;1-23(25,26)21-30-5-3-18(34-21)15-4-6-35-19(11-31-20(35)10-15)16-7-14(12-37-2)8-17(9-16)33-22(36)32-13-24(27,28)29;1-12(2)33-17-7-15(6-16(9-17)28-21(32)27-11-22(23,24)25)18-10-26-19-8-14(4-5-31(18)19)20-30-29-13(3)34-20;1-12-28-29-19(33-12)14-3-4-30-17(9-25-18(30)8-14)15-5-13(10-32-2)6-16(7-15)27-20(31)26-11-21(22,23)24/h7,9-10,12-16,18H,4-6,8,11H2,1-3H3;4-12,14H,13H2,1-3H3,(H2,33,34,37);3-11H,12-13H2,1-2H3,(H2,32,33,36);4-10,12H,11H2,1-3H3,(H2,27,28,32);3-9H,10-11H2,1-2H3,(H2,26,27,31).

What are the key properties of 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea?

1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 2444.33 g/mol, XLogP of 26.39, 36 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(cyclopropanecarbonyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-[2-(1,1-difluoroethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-(methoxymethyl)-5-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 159123331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).