4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C109H115F6N13O14S — CID 158644538

About 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 158644538) has the molecular formula C109H115F6N13O14S and a molecular weight of 1977.25 g/mol. Its IUPAC name is 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 158644538
• Molecular Formula: C109H115F6N13O14S
• Molecular Weight: 1977.25 g/mol
• Exact Mass: 1975.83
• IUPAC Name: 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)C4=CCC=N4)CC3(C)C)oc12.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CCCC3)c2o1.CCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.[C-]#[N+]C1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCC(C(=O)C5CC(C)(O)C5)CC4(C)C)oc23)CC(F)(F)C1
• InChI: InChI=1S/C32H32F3N3O4.C28H31FN4O4S.C25H26FN3O3.C24H26FN3O3/c1-29(2)13-19(26(39)20-14-30(3,41)15-20)9-10-38(29)28(40)25-12-24-27(42-25)22(31(36-4)16-32(34,35)17-31)11-23(37-24)18-5-7-21(33)8-6-18;1-27(2,3)20-15-21(18-8-10-19(29)11-9-18)31-22-16-23(37-25(20)22)26(34)33-14-13-32(17-28(33,4)5)38(35,36)24-7-6-12-30-24;1-25(2)24(31)27-11-12-29(25)23(30)21-14-20-22(32-21)18(15-5-3-4-6-15)13-19(28-20)16-7-9-17(26)10-8-16;1-5-14(2)17-12-18(15-6-8-16(25)9-7-15)27-19-13-20(31-21(17)19)22(29)28-11-10-26-23(30)24(28,3)4/h5-8,11-12,19-20,41H,9-10,13-17H2,1-3H3;7-12,15-16H,6,13-14,17H2,1-5H3;7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,31);6-9,12-14H,5,10-11H2,1-4H3,(H,26,30)
• InChIKey: IAUMIXJCBRAKET-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 334.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1977.25
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 158644538) is 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC(C)(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCN(S(=O)(=O)C4=CCC=N4)CC3(C)C)oc12.CC1(C)C(=O)NCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3CCCC3)c2o1.CCC(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.[C-]#[N+]C1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)N4CCC(C(=O)C5CC(C)(O)C5)CC4(C)C)oc23)CC(F)(F)C1.

What is the InChIKey of 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is IAUMIXJCBRAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N3O4.C28H31FN4O4S.C25H26FN3O3.C24H26FN3O3/c1-29(2)13-19(26(39)20-14-30(3,41)15-20)9-10-38(29)28(40)25-12-24-27(42-25)22(31(36-4)16-32(34,35)17-31)11-23(37-24)18-5-7-21(33)8-6-18;1-27(2,3)20-15-21(18-8-10-19(29)11-9-18)31-22-16-23(37-25(20)22)26(34)33-14-13-32(17-28(33,4)5)38(35,36)24-7-6-12-30-24;1-25(2)24(31)27-11-12-29(25)23(30)21-14-20-22(32-21)18(15-5-3-4-6-15)13-19(28-20)16-7-9-17(26)10-8-16;1-5-14(2)17-12-18(15-6-8-16(25)9-7-15)27-19-13-20(31-21(17)19)22(29)28-11-10-26-23(30)24(28,3)4/h5-8,11-12,19-20,41H,9-10,13-17H2,1-3H3;7-12,15-16H,6,13-14,17H2,1-5H3;7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,31);6-9,12-14H,5,10-11H2,1-4H3,(H,26,30).

What are the key properties of 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 1977.25 g/mol, XLogP of 20.79, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(3H-pyrrol-5-ylsulfonyl)piperazin-1-yl]methanone;4-[7-cyclopentyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 158644538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).