6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane

C107H74ClF6N15O20S — CID 160620877

IUPAC6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane
SMILESC.Cn1c(=O)[nH]c(=O)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21.NC(=O)n1ncc2cc(Cl)c(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)cc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cccc3c2n(c1=O)CCC3.[H]/N=C(\N)c1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c(F)cc1SC
InChIInChI=1S/C29H20FN3O5.C26H16ClFN4O5.C26H16F2N4O6.C25H18F2N4O4S.CH4/c30-20-13-21-23(26-18(20)8-11-38-26)22(19-7-2-9-31-27(19)34)25(29(36)37)33(21)14-17-12-16-5-1-4-15-6-3-10-32(24(15)16)28(17)35;27-16-7-12-10-30-32(26(29)36)18(12)8-13(16)11-31-19-9-17(28)14-5-6-37-24(14)22(19)21(23(31)25(34)35)15-3-1-2-4-20(15)33;1-31-17-8-15(27)11(7-14(17)24(34)30-26(31)37)10-32-18-9-16(28)12-4-6-38-22(12)20(18)19(21(32)25(35)36)13-3-2-5-29-23(13)33;1-36-18-9-15(26)11(7-14(18)23(28)29)10-31-17-8-16(27)12-4-6-35-22(12)20(17)19(21(31)25(33)34)13-3-2-5-30-24(13)32;/h1-2,4-5,7-9,11-13H,3,6,10,14H2,(H,31,34)(H,36,37);1-3,5-10H,4,11H2,(H2,29,36)(H,34,35);2-9H,10H2,1H3,(H,29,33)(H,35,36)(H,30,34,37);2-9H,10H2,1H3,(H3,28,29)(H,30,32)(H,33,34);1H4
InChIKeyRGRLGKMTAIGXJT-UHFFFAOYSA-N
MW2071.36 g/mol
LogP18.72
Rot. Bonds18

About 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane

6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane (PubChem CID 160620877) has the molecular formula C107H74ClF6N15O20S and a molecular weight of 2071.36 g/mol. Its IUPAC name is 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane.

Molecular Properties

Compound Name6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane
PubChem CID160620877
Molecular FormulaC107H74ClF6N15O20S
Molecular Weight2071.36 g/mol
Exact Mass2069.45
IUPAC Name6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane
SMILESC.Cn1c(=O)[nH]c(=O)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21.NC(=O)n1ncc2cc(Cl)c(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)cc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cccc3c2n(c1=O)CCC3.[H]/N=C(\N)c1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c(F)cc1SC
InChIInChI=1S/C29H20FN3O5.C26H16ClFN4O5.C26H16F2N4O6.C25H18F2N4O4S.CH4/c30-20-13-21-23(26-18(20)8-11-38-26)22(19-7-2-9-31-27(19)34)25(29(36)37)33(21)14-17-12-16-5-1-4-15-6-3-10-32(24(15)16)28(17)35;27-16-7-12-10-30-32(26(29)36)18(12)8-13(16)11-31-19-9-17(28)14-5-6-37-24(14)22(19)21(23(31)25(34)35)15-3-1-2-4-20(15)33;1-31-17-8-15(27)11(7-14(17)24(34)30-26(31)37)10-32-18-9-16(28)12-4-6-38-22(12)20(18)19(21(32)25(35)36)13-3-2-5-29-23(13)33;1-36-18-9-15(26)11(7-14(18)23(28)29)10-31-17-8-16(27)12-4-6-35-22(12)20(17)19(21(31)25(33)34)13-3-2-5-30-24(13)32;/h1-2,4-5,7-9,11-13H,3,6,10,14H2,(H,31,34)(H,36,37);1-3,5-10H,4,11H2,(H2,29,36)(H,34,35);2-9H,10H2,1H3,(H,29,33)(H,35,36)(H,30,34,37);2-9H,10H2,1H3,(H3,28,29)(H,30,32)(H,33,34);1H4
InChIKeyRGRLGKMTAIGXJT-UHFFFAOYSA-N
XLogP18.72
TPSA524.77 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002071.36
LogP ≤ 518.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane?
The IUPAC name of 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane (CID 160620877) is 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane.
What is the SMILES notation for 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane?
The canonical SMILES for 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane is C.Cn1c(=O)[nH]c(=O)c2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)c(F)cc21.NC(=O)n1ncc2cc(Cl)c(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)cc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cccc3c2n(c1=O)CCC3.[H]/N=C(\N)c1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c(F)cc1SC.
What is the InChIKey of 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane?
The InChIKey is RGRLGKMTAIGXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN3O5.C26H16ClFN4O5.C26H16F2N4O6.C25H18F2N4O4S.CH4/c30-20-13-21-23(26-18(20)8-11-38-26)22(19-7-2-9-31-27(19)34)25(29(36)37)33(21)14-17-12-16-5-1-4-15-6-3-10-32(24(15)16)28(17)35;27-16-7-12-10-30-32(26(29)36)18(12)8-13(16)11-31-19-9-17(28)14-5-6-37-24(14)22(19)21(23(31)25(34)35)15-3-1-2-4-20(15)33;1-31-17-8-15(27)11(7-14(17)24(34)30-26(31)37)10-32-18-9-16(28)12-4-6-38-22(12)20(18)19(21(32)25(35)36)13-3-2-5-29-23(13)33;1-36-18-9-15(26)11(7-14(18)23(28)29)10-31-17-8-16(27)12-4-6-35-22(12)20(17)19(21(31)25(33)34)13-3-2-5-30-24(13)32;/h1-2,4-5,7-9,11-13H,3,6,10,14H2,(H,31,34)(H,36,37);1-3,5-10H,4,11H2,(H2,29,36)(H,34,35);2-9H,10H2,1H3,(H,29,33)(H,35,36)(H,30,34,37);2-9H,10H2,1H3,(H3,28,29)(H,30,32)(H,33,34);1H4.
What are the key properties of 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane?
6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane has a molecular weight of 2071.36 g/mol, XLogP of 18.72, 18 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-carbamimidoyl-2-fluoro-4-methylsulfanylphenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(1-carbamoyl-5-chloroindazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-1-methyl-2,4-dioxoquinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane is sourced from PubChem (CID 160620877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).