tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone

C103H98F7N27O11 — CID 167591212

About tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone

tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone (PubChem CID 167591212) has the molecular formula C103H98F7N27O11 and a molecular weight of 2023.08 g/mol. Its IUPAC name is tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

• Compound Name: tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone
• PubChem CID: 167591212
• Molecular Formula: C103H98F7N27O11
• Molecular Weight: 2023.08 g/mol
• Exact Mass: 2021.78
• IUPAC Name: tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone
• SMILES: C=C(c1cnc2c(ccn2-c2cncc(-c3noc(N)n3)c2)c1)N1CCC(F)(F)CC1.C=C(c1cnc2c(ccn2-c2cncc(-c3noc(NC)n3)c2)c1)N1CCC(F)(F)CC1.CC1(F)CCN(C(=O)c2cnc3c(c2)nnn3-c2ccccc2)CC1.CC1(F)CCN(C(=O)c2cnc3c(cnn3-c3ccccc3)c2)CC1.Cc1nc2cc(C(=O)N3CCC(C)(F)CC3)cnc2n1-c1ccccc1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C22H21F2N7O.C21H19F2N7O.C20H21FN4O.C19H19FN4O.C18H18FN5O.3CO2/c1-14(30-7-4-22(23,24)5-8-30)16-9-15-3-6-31(20(15)27-12-16)18-10-17(11-26-13-18)19-28-21(25-2)32-29-19;1-13(29-6-3-21(22,23)4-7-29)15-8-14-2-5-30(19(14)26-11-15)17-9-16(10-25-12-17)18-27-20(24)31-28-18;1-14-23-17-12-15(19(26)24-10-8-20(2,21)9-11-24)13-22-18(17)25(14)16-6-4-3-5-7-16;1-19(20)7-9-23(10-8-19)18(25)15-11-14-13-22-24(17(14)21-12-15)16-5-3-2-4-6-16;1-18(19)7-9-23(10-8-18)17(25)13-11-15-16(20-12-13)24(22-21-15)14-5-3-2-4-6-14;3*2-1-3/h3,6,9-13H,1,4-5,7-8H2,2H3,(H,25,28,29);2,5,8-12H,1,3-4,6-7H2,(H2,24,27,28);3-7,12-13H,8-11H2,1-2H3;2-6,11-13H,7-10H2,1H3;2-6,11-12H,7-10H2,1H3
• InChIKey: ILOGIFOUYYZUIC-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 452.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.08
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone?

The IUPAC name of tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone (CID 167591212) is tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone.

What is the SMILES notation for tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone?

The canonical SMILES for tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone is C=C(c1cnc2c(ccn2-c2cncc(-c3noc(N)n3)c2)c1)N1CCC(F)(F)CC1.C=C(c1cnc2c(ccn2-c2cncc(-c3noc(NC)n3)c2)c1)N1CCC(F)(F)CC1.CC1(F)CCN(C(=O)c2cnc3c(c2)nnn3-c2ccccc2)CC1.CC1(F)CCN(C(=O)c2cnc3c(cnn3-c3ccccc3)c2)CC1.Cc1nc2cc(C(=O)N3CCC(C)(F)CC3)cnc2n1-c1ccccc1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone?

The InChIKey is ILOGIFOUYYZUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O.C21H19F2N7O.C20H21FN4O.C19H19FN4O.C18H18FN5O.3CO2/c1-14(30-7-4-22(23,24)5-8-30)16-9-15-3-6-31(20(15)27-12-16)18-10-17(11-26-13-18)19-28-21(25-2)32-29-19;1-13(29-6-3-21(22,23)4-7-29)15-8-14-2-5-30(19(14)26-11-15)17-9-16(10-25-12-17)18-27-20(24)31-28-18;1-14-23-17-12-15(19(26)24-10-8-20(2,21)9-11-24)13-22-18(17)25(14)16-6-4-3-5-7-16;1-19(20)7-9-23(10-8-19)18(25)15-11-14-13-22-24(17(14)21-12-15)16-5-3-2-4-6-16;1-18(19)7-9-23(10-8-18)17(25)13-11-15-16(20-12-13)24(22-21-15)14-5-3-2-4-6-14;3*2-1-3/h3,6,9-13H,1,4-5,7-8H2,2H3,(H,25,28,29);2,5,8-12H,1,3-4,6-7H2,(H2,24,27,28);3-7,12-13H,8-11H2,1-2H3;2-6,11-13H,7-10H2,1H3;2-6,11-12H,7-10H2,1H3;;;.

What are the key properties of tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone?

tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 2023.08 g/mol, XLogP of 16.08, 15 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine;(4-fluoro-4-methylpiperidin-1-yl)-(2-methyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(1-phenylpyrazolo[3,4-b]pyridin-5-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-(3-phenyltriazolo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 167591212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).