2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C108H89F10N21O17S5 — CID 160660911

About 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 160660911) has the molecular formula C108H89F10N21O17S5 and a molecular weight of 2303.34 g/mol. Its IUPAC name is 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 160660911
• Molecular Formula: C108H89F10N21O17S5
• Molecular Weight: 2303.34 g/mol
• Exact Mass: 2301.52
• IUPAC Name: 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: CC(F)(F)c1cccc(S(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1.Cc1cc(F)cc(S(=O)(=O)c2cnc(CNC(=O)N3Cc4cnc(N)nc4C3)nc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(N3CCCCC3)c2)cn1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)c2cccc(OC(F)(F)F)c2)cn1)N1Cc2ccncc2C1.O=C(NCc1ccc(S(=O)c2cccc(OC(F)(F)F)c2)cn1)c1cc2ccncc2o1
• InChI: InChI=1S/C25H23FN4O4S.C22H17F2N3O3S.C21H17F3N4O3S.C21H14F3N3O4S.C19H18FN7O3S/c26-18-11-20(30-8-2-1-3-9-30)13-22(12-18)35(32,33)21-5-4-19(28-15-21)14-29-25(31)23-10-17-6-7-27-16-24(17)34-23;1-22(23,24)15-3-2-4-17(10-15)31(29)18-6-5-16(26-12-18)11-27-21(28)19-9-14-7-8-25-13-20(14)30-19;22-21(23,24)31-17-2-1-3-18(8-17)32(30)19-5-4-16(26-11-19)10-27-20(29)28-12-14-6-7-25-9-15(14)13-28;22-21(23,24)31-15-2-1-3-16(9-15)32(29)17-5-4-14(26-11-17)10-27-20(28)18-8-13-6-7-25-12-19(13)30-18;1-11-2-13(20)4-14(3-11)31(29,30)15-6-22-17(23-7-15)8-25-19(28)27-9-12-5-24-18(21)26-16(12)10-27/h4-7,10-13,15-16H,1-3,8-9,14H2,(H,29,31);2-10,12-13H,11H2,1H3,(H,27,28);1-9,11H,10,12-13H2,(H,27,29);1-9,11-12H,10H2,(H,27,28);2-7H,8-10H2,1H3,(H,25,28)(H2,21,24,26)
• InChIKey: RLQWESYNWNVHRX-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 513.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2303.34
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 160660911) is 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(F)(F)c1cccc(S(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)c1.Cc1cc(F)cc(S(=O)(=O)c2cnc(CNC(=O)N3Cc4cnc(N)nc4C3)nc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(N3CCCCC3)c2)cn1)c1cc2ccncc2o1.O=C(NCc1ccc(S(=O)c2cccc(OC(F)(F)F)c2)cn1)N1Cc2ccncc2C1.O=C(NCc1ccc(S(=O)c2cccc(OC(F)(F)F)c2)cn1)c1cc2ccncc2o1.

What is the InChIKey of 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is RLQWESYNWNVHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S.C22H17F2N3O3S.C21H17F3N4O3S.C21H14F3N3O4S.C19H18FN7O3S/c26-18-11-20(30-8-2-1-3-9-30)13-22(12-18)35(32,33)21-5-4-19(28-15-21)14-29-25(31)23-10-17-6-7-27-16-24(17)34-23;1-22(23,24)15-3-2-4-17(10-15)31(29)18-6-5-16(26-12-18)11-27-21(28)19-9-14-7-8-25-13-20(14)30-19;22-21(23,24)31-17-2-1-3-18(8-17)32(30)19-5-4-16(26-11-19)10-27-20(29)28-12-14-6-7-25-9-15(14)13-28;22-21(23,24)31-15-2-1-3-16(9-15)32(29)17-5-4-14(26-11-17)10-27-20(28)18-8-13-6-7-25-12-19(13)30-18;1-11-2-13(20)4-14(3-11)31(29,30)15-6-22-17(23-7-15)8-25-19(28)27-9-12-5-24-18(21)26-16(12)10-27/h4-7,10-13,15-16H,1-3,8-9,14H2,(H,29,31);2-10,12-13H,11H2,1H3,(H,27,28);1-9,11H,10,12-13H2,(H,27,29);1-9,11-12H,10H2,(H,27,28);2-7H,8-10H2,1H3,(H,25,28)(H2,21,24,26).

What are the key properties of 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2303.34 g/mol, XLogP of 17.89, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[5-(3-fluoro-5-methylphenyl)sulfonylpyrimidin-2-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethoxy)phenyl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 160660911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).