[4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C117H159F8N17O16 — CID 157453292

About [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 157453292) has the molecular formula C117H159F8N17O16 and a molecular weight of 2211.65 g/mol. Its IUPAC name is [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 157453292
• Molecular Formula: C117H159F8N17O16
• Molecular Weight: 2211.65 g/mol
• Exact Mass: 2210.20
• IUPAC Name: [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC(C#N)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC(C(F)(F)F)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC(F)(F)C5)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC[C@@H]5C(F)(F)F)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1
• InChI: InChI=1S/C30H41F3N4O4.C30H41N5O4.C29H39F3N4O4.C28H38F2N4O4/c1-27(2,3)20-13-23(35-9-7-19(8-10-35)30(31,32)33)34-21-14-22(41-24(20)21)26(39)37-12-11-36(17-28(37,4)5)25(38)18-15-29(6,40)16-18;1-28(2,3)21-13-24(33-9-7-19(17-31)8-10-33)32-22-14-23(39-25(21)22)27(37)35-12-11-34(18-29(35,4)5)26(36)20-15-30(6,38)16-20;1-26(2,3)18-12-22(35-9-7-8-21(35)29(30,31)32)33-19-13-20(40-23(18)19)25(38)36-11-10-34(16-27(36,4)5)24(37)17-14-28(6,39)15-17;1-25(2,3)18-11-21(32-8-7-28(29,30)16-32)31-19-12-20(38-22(18)19)24(36)34-10-9-33(15-26(34,4)5)23(35)17-13-27(6,37)14-17/h13-14,18-19,40H,7-12,15-17H2,1-6H3;13-14,19-20,38H,7-12,15-16,18H2,1-6H3;12-13,17,21,39H,7-11,14-16H2,1-6H3;11-12,17,37H,7-10,13-16H2,1-6H3/t;;17?,21-,28?;/m..1./s1
• InChIKey: BTAYILFBOMIJJE-WRXYIVDZSA-N
• XLogP: 18.29
• TPSA: 384.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.65
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 157453292) is [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC(C#N)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC(C(F)(F)F)CC5)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC(F)(F)C5)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.CC1(O)CC(C(=O)N2CCN(C(=O)c3cc4nc(N5CCC[C@@H]5C(F)(F)F)cc(C(C)(C)C)c4o3)C(C)(C)C2)C1.

What is the InChIKey of [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is BTAYILFBOMIJJE-WRXYIVDZSA-N. The full InChI is InChI=1S/C30H41F3N4O4.C30H41N5O4.C29H39F3N4O4.C28H38F2N4O4/c1-27(2,3)20-13-23(35-9-7-19(8-10-35)30(31,32)33)34-21-14-22(41-24(20)21)26(39)37-12-11-36(17-28(37,4)5)25(38)18-15-29(6,40)16-18;1-28(2,3)21-13-24(33-9-7-19(17-31)8-10-33)32-22-14-23(39-25(21)22)27(37)35-12-11-34(18-29(35,4)5)26(36)20-15-30(6,38)16-20;1-26(2,3)18-12-22(35-9-7-8-21(35)29(30,31)32)33-19-13-20(40-23(18)19)25(38)36-11-10-34(16-27(36,4)5)24(37)17-14-28(6,39)15-17;1-25(2,3)18-11-21(32-8-7-28(29,30)16-32)31-19-12-20(38-22(18)19)24(36)34-10-9-33(15-26(34,4)5)23(35)17-13-27(6,37)14-17/h13-14,18-19,40H,7-12,15-17H2,1-6H3;13-14,19-20,38H,7-12,15-16,18H2,1-6H3;12-13,17,21,39H,7-11,14-16H2,1-6H3;11-12,17,37H,7-10,13-16H2,1-6H3/t;;17?,21-,28?;/m..1./s1.

What are the key properties of [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

[4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 2211.65 g/mol, XLogP of 18.29, 12 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-tert-butyl-5-(3,3-difluoropyrrolidin-1-yl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;1-[7-tert-butyl-2-[4-(3-hydroxy-3-methylcyclobutanecarbonyl)-2,2-dimethylpiperazine-1-carbonyl]furo[3,2-b]pyridin-5-yl]piperidine-4-carbonitrile;[4-[7-tert-butyl-5-[4-(trifluoromethyl)piperidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[4-[7-tert-butyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 157453292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).