3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one

C218H166Cl4F10N28O27 — CID 162219238

IUPAC3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one
SMILESC=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(Cl)nc2ccccc12)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(cc1F)N=CC2)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(nc1Cl)N=CC2)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2nc1Cl)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2ccccc2c1Cl)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2nc[nH]c(=O)c2c1)CCCO3
InChIInChI=1S/3C28H21ClFN3O3.C28H22FN3O4.C27H20F2N4O4.C27H21F2N3O3.C26H20ClFN4O3.C26H20FN5O4/c1-15(34)26-23(19-7-4-10-31-28(19)35)24-22(12-20(30)17-8-5-11-36-27(17)24)33(26)14-16-13-32-21-9-3-2-6-18(21)25(16)29;1-15(34)26-24(19-7-4-10-31-28(19)35)25-22(13-20(30)18-8-5-11-36-27(18)25)33(26)14-16-12-23(29)32-21-9-3-2-6-17(16)21;1-15(34)25-23(19-7-4-10-31-28(19)35)24-22(13-20(30)18-8-5-11-36-26(18)24)33(25)14-17-12-16-6-2-3-9-21(16)32-27(17)29;1-15(33)26-24(19-7-4-10-30-28(19)35)25-22(13-20(29)18-8-5-11-36-27(18)25)32(26)14-16-12-23(34)31-21-9-3-2-6-17(16)21;1-13(34)24-22(16-4-2-6-30-26(16)35)23-21(10-19(29)15-5-3-7-37-25(15)23)33(24)11-14-8-17-20(9-18(14)28)31-12-32-27(17)36;1-14(33)25-23(18-4-2-7-31-27(18)34)24-22(12-20(29)17-5-3-9-35-26(17)24)32(25)13-16-10-15-6-8-30-21(15)11-19(16)28;1-13(33)22-20(17-4-2-7-30-26(17)34)21-19(11-18(28)16-5-3-9-35-23(16)21)32(22)12-15-10-14-6-8-29-25(14)31-24(15)27;1-13(33)22-20(16-4-2-6-28-25(16)34)21-19(9-18(27)15-5-3-7-36-23(15)21)32(22)11-14-8-17-24(29-10-14)30-12-31-26(17)35/h3*2-4,6-7,9-10,12-13,34H,1,5,8,11,14H2,(H,31,35);2-4,6-7,9-10,12-13,33H,1,5,8,11,14H2,(H,30,35)(H,31,34);2,4,6,8-10,12,34H,1,3,5,7,11H2,(H,30,35)(H,31,32,36);2,4,7-8,10-12,33H,1,3,5-6,9,13H2,(H,31,34);2,4,7-8,10-11,33H,1,3,5-6,9,12H2,(H,30,34);2,4,6,8-10,12,33H,1,3,5,7,11H2,(H,28,34)(H,29,30,31,35)
InChIKeyZTWXBXYEQADISF-UHFFFAOYSA-N
MW3941.69 g/mol
LogP42.46
Rot. Bonds32

About 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one

3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one (PubChem CID 162219238) has the molecular formula C218H166Cl4F10N28O27 and a molecular weight of 3941.69 g/mol. Its IUPAC name is 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one
PubChem CID162219238
Molecular FormulaC218H166Cl4F10N28O27
Molecular Weight3941.69 g/mol
Exact Mass3937.11
IUPAC Name3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one
SMILESC=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(Cl)nc2ccccc12)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(cc1F)N=CC2)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(nc1Cl)N=CC2)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2nc1Cl)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2ccccc2c1Cl)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2nc[nH]c(=O)c2c1)CCCO3
InChIInChI=1S/3C28H21ClFN3O3.C28H22FN3O4.C27H20F2N4O4.C27H21F2N3O3.C26H20ClFN4O3.C26H20FN5O4/c1-15(34)26-23(19-7-4-10-31-28(19)35)24-22(12-20(30)17-8-5-11-36-27(17)24)33(26)14-16-13-32-21-9-3-2-6-18(21)25(16)29;1-15(34)26-24(19-7-4-10-31-28(19)35)25-22(13-20(30)18-8-5-11-36-27(18)25)33(26)14-16-12-23(29)32-21-9-3-2-6-17(16)21;1-15(34)25-23(19-7-4-10-31-28(19)35)24-22(13-20(30)18-8-5-11-36-26(18)24)33(25)14-17-12-16-6-2-3-9-21(16)32-27(17)29;1-15(33)26-24(19-7-4-10-30-28(19)35)25-22(13-20(29)18-8-5-11-36-27(18)25)32(26)14-16-12-23(34)31-21-9-3-2-6-17(16)21;1-13(34)24-22(16-4-2-6-30-26(16)35)23-21(10-19(29)15-5-3-7-37-25(15)23)33(24)11-14-8-17-20(9-18(14)28)31-12-32-27(17)36;1-14(33)25-23(18-4-2-7-31-27(18)34)24-22(12-20(29)17-5-3-9-35-26(17)24)32(25)13-16-10-15-6-8-30-21(15)11-19(16)28;1-13(33)22-20(17-4-2-7-30-26(17)34)21-19(11-18(28)16-5-3-9-35-23(16)21)32(22)12-15-10-14-6-8-29-25(14)31-24(15)27;1-13(33)22-20(16-4-2-6-28-25(16)34)21-19(9-18(27)15-5-3-7-36-23(15)21)32(22)11-14-8-17-24(29-10-14)30-12-31-26(17)35/h3*2-4,6-7,9-10,12-13,34H,1,5,8,11,14H2,(H,31,35);2-4,6-7,9-10,12-13,33H,1,5,8,11,14H2,(H,30,35)(H,31,34);2,4,6,8-10,12,34H,1,3,5,7,11H2,(H,30,35)(H,31,32,36);2,4,7-8,10-12,33H,1,3,5-6,9,13H2,(H,31,34);2,4,7-8,10-11,33H,1,3,5-6,9,12H2,(H,30,34);2,4,6,8-10,12,33H,1,3,5,7,11H2,(H,28,34)(H,29,30,31,35)
InChIKeyZTWXBXYEQADISF-UHFFFAOYSA-N
XLogP42.46
TPSA751.53 Ų
H-Bond Donors19
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003941.69
LogP ≤ 542.46
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1044

Analyze 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one with MolForge

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What is the IUPAC name of 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one (CID 162219238) is 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one is C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(Cl)nc2ccccc12)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(cc1F)N=CC2)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(nc1Cl)N=CC2)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2nc1Cl)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2ccccc2c1Cl)CCCO3.C=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2nc[nH]c(=O)c2c1)CCCO3.
What is the InChIKey of 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one?
The InChIKey is ZTWXBXYEQADISF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H21ClFN3O3.C28H22FN3O4.C27H20F2N4O4.C27H21F2N3O3.C26H20ClFN4O3.C26H20FN5O4/c1-15(34)26-23(19-7-4-10-31-28(19)35)24-22(12-20(30)17-8-5-11-36-27(17)24)33(26)14-16-13-32-21-9-3-2-6-18(21)25(16)29;1-15(34)26-24(19-7-4-10-31-28(19)35)25-22(13-20(30)18-8-5-11-36-27(18)25)33(26)14-16-12-23(29)32-21-9-3-2-6-17(16)21;1-15(34)25-23(19-7-4-10-31-28(19)35)24-22(13-20(30)18-8-5-11-36-26(18)24)33(25)14-17-12-16-6-2-3-9-21(16)32-27(17)29;1-15(33)26-24(19-7-4-10-30-28(19)35)25-22(13-20(29)18-8-5-11-36-27(18)25)32(26)14-16-12-23(34)31-21-9-3-2-6-17(16)21;1-13(34)24-22(16-4-2-6-30-26(16)35)23-21(10-19(29)15-5-3-7-37-25(15)23)33(24)11-14-8-17-20(9-18(14)28)31-12-32-27(17)36;1-14(33)25-23(18-4-2-7-31-27(18)34)24-22(12-20(29)17-5-3-9-35-26(17)24)32(25)13-16-10-15-6-8-30-21(15)11-19(16)28;1-13(33)22-20(17-4-2-7-30-26(17)34)21-19(11-18(28)16-5-3-9-35-23(16)21)32(22)12-15-10-14-6-8-29-25(14)31-24(15)27;1-13(33)22-20(16-4-2-6-28-25(16)34)21-19(9-18(27)15-5-3-7-36-23(15)21)32(22)11-14-8-17-24(29-10-14)30-12-31-26(17)35/h3*2-4,6-7,9-10,12-13,34H,1,5,8,11,14H2,(H,31,35);2-4,6-7,9-10,12-13,33H,1,5,8,11,14H2,(H,30,35)(H,31,34);2,4,6,8-10,12,34H,1,3,5,7,11H2,(H,30,35)(H,31,32,36);2,4,7-8,10-12,33H,1,3,5-6,9,13H2,(H,31,34);2,4,7-8,10-11,33H,1,3,5-6,9,12H2,(H,30,34);2,4,6,8-10,12,33H,1,3,5,7,11H2,(H,28,34)(H,29,30,31,35).
What are the key properties of 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one?
3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one has a molecular weight of 3941.69 g/mol, XLogP of 42.46, 32 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(6-chloro-3H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;3-[7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;7-fluoro-6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-quinazolin-4-one;3-[5-fluoro-7-[(6-fluoro-3H-indol-5-yl)methyl]-8-(1-hydroxyethenyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-9-yl]-1H-pyridin-2-one;6-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-3H-pyrido[2,3-d]pyrimidin-4-one;4-[[5-fluoro-8-(1-hydroxyethenyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indol-7-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 162219238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).