N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid

C115H89Cl2F6N17O22S — CID 157197132

IUPACN-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c(F)c1.Cc1nc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2c(=O)n1C(=O)OC(C)(C)C.O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2nc(N3CCCCC3)[nH]c2c1
InChIInChI=1S/C31H24F2N4O7.C29H24FN5O4.C28H23F2N3O6.C27H18Cl2FN5O5S/c1-14-35-21-11-19(32)15(10-18(21)28(39)37(14)30(42)44-31(2,3)4)13-36-22-12-20(33)16-7-9-43-26(16)24(22)23(25(36)29(40)41)17-6-5-8-34-27(17)38;30-19-14-22-24(26-17(19)8-12-39-26)23(18-5-4-9-31-27(18)36)25(28(37)38)35(22)15-16-6-7-20-21(13-16)33-29(32-20)34-10-2-1-3-11-34;1-28(2,3)39-27(37)32-15-7-6-14(18(29)11-15)13-33-20-12-19(30)16-8-10-38-24(16)22(20)21(23(33)26(35)36)17-5-4-9-31-25(17)34;28-16-9-19-18(32-27(29)33-19)8-12(16)11-35-20-10-17(30)14-5-7-40-24(14)22(20)21(15-2-1-6-31-25(15)36)23(35)26(37)34-41(38,39)13-3-4-13/h5-12H,13H2,1-4H3,(H,34,38)(H,40,41);4-9,12-14H,1-3,10-11,15H2,(H,31,36)(H,32,33)(H,37,38);4-12H,13H2,1-3H3,(H,31,34)(H,32,37)(H,35,36);1-2,5-10,13H,3-4,11H2,(H,31,36)(H,32,33)(H,34,37)
InChIKeyAQJLGZCSDMLVRF-UHFFFAOYSA-N
MW2278.03 g/mol
LogP22.51
Rot. Bonds20

About N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid

N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid (PubChem CID 157197132) has the molecular formula C115H89Cl2F6N17O22S and a molecular weight of 2278.03 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
PubChem CID157197132
Molecular FormulaC115H89Cl2F6N17O22S
Molecular Weight2278.03 g/mol
Exact Mass2275.54
IUPAC NameN-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c(F)c1.Cc1nc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2c(=O)n1C(=O)OC(C)(C)C.O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2nc(N3CCCCC3)[nH]c2c1
InChIInChI=1S/C31H24F2N4O7.C29H24FN5O4.C28H23F2N3O6.C27H18Cl2FN5O5S/c1-14-35-21-11-19(32)15(10-18(21)28(39)37(14)30(42)44-31(2,3)4)13-36-22-12-20(33)16-7-9-43-26(16)24(22)23(25(36)29(40)41)17-6-5-8-34-27(17)38;30-19-14-22-24(26-17(19)8-12-39-26)23(18-5-4-9-31-27(18)36)25(28(37)38)35(22)15-16-6-7-20-21(13-16)33-29(32-20)34-10-2-1-3-11-34;1-28(2,3)39-27(37)32-15-7-6-14(18(29)11-15)13-33-20-12-19(30)16-8-10-38-24(16)22(20)21(23(33)26(35)36)17-5-4-9-31-25(17)34;28-16-9-19-18(32-27(29)33-19)8-12(16)11-35-20-10-17(30)14-5-7-40-24(14)22(20)21(15-2-1-6-31-25(15)36)23(35)26(37)34-41(38,39)13-3-4-13/h5-12H,13H2,1-4H3,(H,34,38)(H,40,41);4-9,12-14H,1-3,10-11,15H2,(H,31,36)(H,32,33)(H,37,38);4-12H,13H2,1-3H3,(H,31,34)(H,32,37)(H,35,36);1-2,5-10,13H,3-4,11H2,(H,31,36)(H,32,33)(H,34,37)
InChIKeyAQJLGZCSDMLVRF-UHFFFAOYSA-N
XLogP22.51
TPSA538.98 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.03
LogP ≤ 522.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid (CID 157197132) is N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c(F)c1.Cc1nc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2c(=O)n1C(=O)OC(C)(C)C.O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]c(Cl)nc2cc1Cl.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2nc(N3CCCCC3)[nH]c2c1.
What is the InChIKey of N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is AQJLGZCSDMLVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N4O7.C29H24FN5O4.C28H23F2N3O6.C27H18Cl2FN5O5S/c1-14-35-21-11-19(32)15(10-18(21)28(39)37(14)30(42)44-31(2,3)4)13-36-22-12-20(33)16-7-9-43-26(16)24(22)23(25(36)29(40)41)17-6-5-8-34-27(17)38;30-19-14-22-24(26-17(19)8-12-39-26)23(18-5-4-9-31-27(18)36)25(28(37)38)35(22)15-16-6-7-20-21(13-16)33-29(32-20)34-10-2-1-3-11-34;1-28(2,3)39-27(37)32-15-7-6-14(18(29)11-15)13-33-20-12-19(30)16-8-10-38-24(16)22(20)21(23(33)26(35)36)17-5-4-9-31-25(17)34;28-16-9-19-18(32-27(29)33-19)8-12(16)11-35-20-10-17(30)14-5-7-40-24(14)22(20)21(15-2-1-6-31-25(15)36)23(35)26(37)34-41(38,39)13-3-4-13/h5-12H,13H2,1-4H3,(H,34,38)(H,40,41);4-9,12-14H,1-3,10-11,15H2,(H,31,36)(H,32,33)(H,37,38);4-12H,13H2,1-3H3,(H,31,34)(H,32,37)(H,35,36);1-2,5-10,13H,3-4,11H2,(H,31,36)(H,32,33)(H,34,37).
What are the key properties of N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 2278.03 g/mol, XLogP of 22.51, 20 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-6-[(2,6-dichloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;4-fluoro-6-[[7-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinazolin-6-yl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(2-piperidin-1-yl-3H-benzimidazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 157197132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).