1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C87H85F6N19O11 — CID 162224525

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 162224525) has the molecular formula C87H85F6N19O11 and a molecular weight of 1686.75 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 162224525
• Molecular Formula: C87H85F6N19O11
• Molecular Weight: 1686.75 g/mol
• Exact Mass: 1685.66
• IUPAC Name: 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4c3CC(=O)N4)cc2F)no1.CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4c3CC(=O)N4)cc2C(F)(F)F)n1.CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4c3CC(=O)N4)cc2F)n1.O=C1Cc2c(-c3ccc(CNC(=O)NCC4CC5CCC4C5)c(F)c3)ccnc2N1
• InChI: InChI=1S/C23H25FN4O2.C22H20F3N5O3.2C21H20FN5O3/c24-20-9-15(18-5-6-25-22-19(18)10-21(29)28-22)3-4-16(20)11-26-23(30)27-12-17-8-13-1-2-14(17)7-13;1-21(2,3)20-29-19(33-30-20)18(32)27-10-12-5-4-11(8-15(12)22(23,24)25)13-6-7-26-17-14(13)9-16(31)28-17;1-21(2,3)20-26-18(27-30-20)19(29)24-10-12-5-4-11(8-15(12)22)13-6-7-23-17-14(13)9-16(28)25-17;1-21(2,3)20-26-19(30-27-20)18(29)24-10-12-5-4-11(8-15(12)22)13-6-7-23-17-14(13)9-16(28)25-17/h3-6,9,13-14,17H,1-2,7-8,10-12H2,(H,25,28,29)(H2,26,27,30);4-8H,9-10H2,1-3H3,(H,27,32)(H,26,28,31);2*4-8H,9-10H2,1-3H3,(H,24,29)(H,23,25,28)
• InChIKey: ZUOOBBWCTRMFMH-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 413.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1686.75
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 162224525) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4c3CC(=O)N4)cc2F)no1.CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4c3CC(=O)N4)cc2C(F)(F)F)n1.CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4c3CC(=O)N4)cc2F)n1.O=C1Cc2c(-c3ccc(CNC(=O)NCC4CC5CCC4C5)c(F)c3)ccnc2N1.

What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is ZUOOBBWCTRMFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2.C22H20F3N5O3.2C21H20FN5O3/c24-20-9-15(18-5-6-25-22-19(18)10-21(29)28-22)3-4-16(20)11-26-23(30)27-12-17-8-13-1-2-14(17)7-13;1-21(2,3)20-29-19(33-30-20)18(32)27-10-12-5-4-11(8-15(12)22(23,24)25)13-6-7-26-17-14(13)9-16(31)28-17;1-21(2,3)20-26-18(27-30-20)19(29)24-10-12-5-4-11(8-15(12)22)13-6-7-23-17-14(13)9-16(28)25-17;1-21(2,3)20-26-19(30-27-20)18(29)24-10-12-5-4-11(8-15(12)22)13-6-7-23-17-14(13)9-16(28)25-17/h3-6,9,13-14,17H,1-2,7-8,10-12H2,(H,25,28,29)(H2,26,27,30);4-8H,9-10H2,1-3H3,(H,27,32)(H,26,28,31);2*4-8H,9-10H2,1-3H3,(H,24,29)(H,23,25,28).

What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 1686.75 g/mol, XLogP of 13.48, 17 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]urea;3-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;5-tert-butyl-N-[[2-fluoro-4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[4-(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 162224525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).