6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate

C120H107Cl2F5N16O21 — CID 159516815

About 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate

6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 159516815) has the molecular formula C120H107Cl2F5N16O21 and a molecular weight of 2275.16 g/mol. Its IUPAC name is 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

• Compound Name: 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate
• PubChem CID: 159516815
• Molecular Formula: C120H107Cl2F5N16O21
• Molecular Weight: 2275.16 g/mol
• Exact Mass: 2272.71
• IUPAC Name: 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate
• SMILES: CC(C)(C)OC(=O)n1ncc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(Cl)cc21.CC(CN(C)C)OC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl.CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F.CN(C)CCOC1=NCC(OCCN(C)C)C(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)=C1
• InChI: InChI=1S/C31H35FN4O6.C30H26ClFN4O4.C30H23ClFN3O6.C29H23F2N5O5/c1-34(2)10-13-40-25-17-33-26(41-14-11-35(3)4)15-19(25)18-36-23-16-22(32)20-9-12-42-30(20)28(23)27(29(36)31(38)39)21-7-5-6-8-24(21)37;1-16(13-35(2)3)40-30(38)28-26(19-6-4-5-7-25(19)37)27-24(12-21(32)18-8-9-39-29(18)27)36(28)14-17-10-22-23(11-20(17)31)34-15-33-22;1-30(2,3)41-29(39)35-21-11-19(31)16(10-15(21)13-33-35)14-34-22-12-20(32)17-8-9-40-27(17)25(22)24(26(34)28(37)38)18-6-4-5-7-23(18)36;1-35(2)7-9-41-29(39)25-23(17-4-3-6-32-27(17)37)24-22(12-20(31)16-5-8-40-26(16)24)36(25)13-15-10-18-21(11-19(15)30)33-14-34-28(18)38/h5-7,9,12,15-16,25H,8,10-11,13-14,17-18H2,1-4H3,(H,38,39);4-6,8-12,15-16H,7,13-14H2,1-3H3,(H,33,34);4-6,8-13H,7,14H2,1-3H3,(H,37,38);3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,32,37)(H,33,34,38)
• InChIKey: MBHMYLQUFDTYRU-UHFFFAOYSA-N
• XLogP: 21.12
• TPSA: 445.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2275.16
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate?

The IUPAC name of 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate (CID 159516815) is 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate.

What is the SMILES notation for 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate?

The canonical SMILES for 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate is CC(C)(C)OC(=O)n1ncc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(Cl)cc21.CC(CN(C)C)OC(=O)c1c(C2=CC=CCC2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl.CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F.CN(C)CCOC1=NCC(OCCN(C)C)C(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)=C1.

What is the InChIKey of 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate?

The InChIKey is MBHMYLQUFDTYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O6.C30H26ClFN4O4.C30H23ClFN3O6.C29H23F2N5O5/c1-34(2)10-13-40-25-17-33-26(41-14-11-35(3)4)15-19(25)18-36-23-16-22(32)20-9-12-42-30(20)28(23)27(29(36)31(38)39)21-7-5-6-8-24(21)37;1-16(13-35(2)3)40-30(38)28-26(19-6-4-5-7-25(19)37)27-24(12-21(32)18-8-9-39-29(18)27)36(28)14-17-10-22-23(11-20(17)31)34-15-33-22;1-30(2,3)41-29(39)35-21-11-19(31)16(10-15(21)13-33-35)14-34-22-12-20(32)17-8-9-40-27(17)25(22)24(26(34)28(37)38)18-6-4-5-7-23(18)36;1-35(2)7-9-41-29(39)25-23(17-4-3-6-32-27(17)37)24-22(12-20(31)16-5-8-40-26(16)24)36(25)13-15-10-18-21(11-19(15)30)33-14-34-28(18)38/h5-7,9,12,15-16,25H,8,10-11,13-14,17-18H2,1-4H3,(H,38,39);4-6,8-12,15-16H,7,13-14H2,1-3H3,(H,33,34);4-6,8-13H,7,14H2,1-3H3,(H,37,38);3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,32,37)(H,33,34,38).

What are the key properties of 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate?

6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 2275.16 g/mol, XLogP of 21.12, 29 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3,6-bis[2-(dimethylamino)ethoxy]-2,3-dihydropyridin-4-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;1-(dimethylamino)propan-2-yl 6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 159516815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).