6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane

C161H124Cl2F10N16O28 — CID 172952920

IUPAC6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane
SMILESC.C.C.C.C.C.CO/N=C/c1ccc(F)c(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)c1.Cn1nc(N)c2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCO3.O=C1C=Cc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(c(F)cc43)CCO5)cc2C1.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3c(cc2Cl)C=NC3)c2cc(F)c3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3oncc3cc2Cl)c2cc(F)c3ccoc3c12
InChIInChI=1S/C27H18F2N2O5.C26H16ClFN2O4.C26H18F2N4O4.C26H18F2N2O5.C25H14ClFN2O5.C25H16F2N4O5.6CH4/c28-19-10-13-3-4-16(32)9-14(13)8-15(19)12-31-21-11-20(29)17-5-7-36-25(17)23(21)22(24(31)27(34)35)18-2-1-6-30-26(18)33;27-18-8-14-11-29-10-13(14)7-15(18)12-30-20-9-19(28)16-5-6-34-25(16)23(20)22(24(30)26(32)33)17-3-1-2-4-21(17)31;1-31-18-9-16(27)12(8-15(18)25(29)30-31)11-32-19-10-17(28)13-6-7-36-24(13)22(19)21(23(32)26(34)35)14-4-2-3-5-20(14)33;1-34-29-12-14-6-7-18(27)15(10-14)13-30-20-11-19(28)16-8-9-35-25(16)23(20)22(24(30)26(32)33)17-4-2-3-5-21(17)31;26-16-7-12-10-28-34-20(12)8-13(16)11-29-18-9-17(27)14-5-6-33-24(14)22(18)21(23(29)25(31)32)15-3-1-2-4-19(15)30;26-15-7-17-14(24(33)30-10-29-17)6-11(15)9-31-18-8-16(27)12-3-5-36-22(12)20(18)19(21(31)25(34)35)13-2-1-4-28-23(13)32;;;;;;/h1-4,6,8,10-11H,5,7,9,12H2,(H,30,33)(H,34,35);1-3,5-9,11H,4,10,12H2,(H,32,33);2-4,6-10H,5,11H2,1H3,(H2,29,30)(H,34,35);2-4,6-12H,5,13H2,1H3,(H,32,33);1-3,5-10H,4,11H2,(H,31,32);1-2,4,6-8,10H,3,5,9H2,(H,28,32)(H,34,35)(H,29,30,33);6*1H4/b;;;29-12+;;;;;;;;
InChIKeyHWXMOIFHKHNBGL-MKULDFTISA-N
MW2991.73 g/mol
LogP32.95
Rot. Bonds26

About 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane

6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane (PubChem CID 172952920) has the molecular formula C161H124Cl2F10N16O28 and a molecular weight of 2991.73 g/mol. Its IUPAC name is 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane.

Molecular Properties

Compound Name6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane
PubChem CID172952920
Molecular FormulaC161H124Cl2F10N16O28
Molecular Weight2991.73 g/mol
Exact Mass2988.80
IUPAC Name6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane
SMILESC.C.C.C.C.C.CO/N=C/c1ccc(F)c(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)c1.Cn1nc(N)c2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCO3.O=C1C=Cc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(c(F)cc43)CCO5)cc2C1.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3c(cc2Cl)C=NC3)c2cc(F)c3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3oncc3cc2Cl)c2cc(F)c3ccoc3c12
InChIInChI=1S/C27H18F2N2O5.C26H16ClFN2O4.C26H18F2N4O4.C26H18F2N2O5.C25H14ClFN2O5.C25H16F2N4O5.6CH4/c28-19-10-13-3-4-16(32)9-14(13)8-15(19)12-31-21-11-20(29)17-5-7-36-25(17)23(21)22(24(31)27(34)35)18-2-1-6-30-26(18)33;27-18-8-14-11-29-10-13(14)7-15(18)12-30-20-9-19(28)16-5-6-34-25(16)23(20)22(24(30)26(32)33)17-3-1-2-4-21(17)31;1-31-18-9-16(27)12(8-15(18)25(29)30-31)11-32-19-10-17(28)13-6-7-36-24(13)22(19)21(23(32)26(34)35)14-4-2-3-5-20(14)33;1-34-29-12-14-6-7-18(27)15(10-14)13-30-20-11-19(28)16-8-9-35-25(16)23(20)22(24(30)26(32)33)17-4-2-3-5-21(17)31;26-16-7-12-10-28-34-20(12)8-13(16)11-29-18-9-17(27)14-5-6-33-24(14)22(18)21(23(29)25(31)32)15-3-1-2-4-19(15)30;26-15-7-17-14(24(33)30-10-29-17)6-11(15)9-31-18-8-16(27)12-3-5-36-22(12)20(18)19(21(31)25(34)35)13-2-1-4-28-23(13)32;;;;;;/h1-4,6,8,10-11H,5,7,9,12H2,(H,30,33)(H,34,35);1-3,5-9,11H,4,10,12H2,(H,32,33);2-4,6-10H,5,11H2,1H3,(H2,29,30)(H,34,35);2-4,6-12H,5,13H2,1H3,(H,32,33);1-3,5-10H,4,11H2,(H,31,32);1-2,4,6-8,10H,3,5,9H2,(H,28,32)(H,34,35)(H,29,30,33);6*1H4/b;;;29-12+;;;;;;;;
InChIKeyHWXMOIFHKHNBGL-MKULDFTISA-N
XLogP32.95
TPSA625.04 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.73
LogP ≤ 532.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane?
The IUPAC name of 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane (CID 172952920) is 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane.
What is the SMILES notation for 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane?
The canonical SMILES for 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane is C.C.C.C.C.C.CO/N=C/c1ccc(F)c(Cn2c(C(=O)O)c(C3=CC=CCC3=O)c3c4occc4c(F)cc32)c1.Cn1nc(N)c2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCO3.O=C1C=Cc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5c(c(F)cc43)CCO5)cc2C1.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3c(cc2Cl)C=NC3)c2cc(F)c3ccoc3c12.O=C1CC=CC=C1c1c(C(=O)O)n(Cc2cc3oncc3cc2Cl)c2cc(F)c3ccoc3c12.
What is the InChIKey of 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane?
The InChIKey is HWXMOIFHKHNBGL-MKULDFTISA-N. The full InChI is InChI=1S/C27H18F2N2O5.C26H16ClFN2O4.C26H18F2N4O4.C26H18F2N2O5.C25H14ClFN2O5.C25H16F2N4O5.6CH4/c28-19-10-13-3-4-16(32)9-14(13)8-15(19)12-31-21-11-20(29)17-5-7-36-25(17)23(21)22(24(31)27(34)35)18-2-1-6-30-26(18)33;27-18-8-14-11-29-10-13(14)7-15(18)12-30-20-9-19(28)16-5-6-34-25(16)23(20)22(24(30)26(32)33)17-3-1-2-4-21(17)31;1-31-18-9-16(27)12(8-15(18)25(29)30-31)11-32-19-10-17(28)13-6-7-36-24(13)22(19)21(23(32)26(34)35)14-4-2-3-5-20(14)33;1-34-29-12-14-6-7-18(27)15(10-14)13-30-20-11-19(28)16-8-9-35-25(16)23(20)22(24(30)26(32)33)17-4-2-3-5-21(17)31;26-16-7-12-10-28-34-20(12)8-13(16)11-29-18-9-17(27)14-5-6-33-24(14)22(18)21(23(29)25(31)32)15-3-1-2-4-19(15)30;26-15-7-17-14(24(33)30-10-29-17)6-11(15)9-31-18-8-16(27)12-3-5-36-22(12)20(18)19(21(31)25(34)35)13-2-1-4-28-23(13)32;;;;;;/h1-4,6,8,10-11H,5,7,9,12H2,(H,30,33)(H,34,35);1-3,5-9,11H,4,10,12H2,(H,32,33);2-4,6-10H,5,11H2,1H3,(H2,29,30)(H,34,35);2-4,6-12H,5,13H2,1H3,(H,32,33);1-3,5-10H,4,11H2,(H,31,32);1-2,4,6-8,10H,3,5,9H2,(H,28,32)(H,34,35)(H,29,30,33);6*1H4/b;;;29-12+;;;;;;;;.
What are the key properties of 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane?
6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane has a molecular weight of 2991.73 g/mol, XLogP of 32.95, 26 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-6-fluoro-1-methylindazol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(5-chloro-1,2-benzoxazol-6-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;6-[(6-chloro-3H-isoindol-5-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[[2-fluoro-5-[(E)-methoxyiminomethyl]phenyl]methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(3-fluoro-7-oxo-8H-naphthalen-2-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid;methane is sourced from PubChem (CID 172952920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).