7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid

C208H148Cl4F10N30O35 — CID 158411038

IUPAC7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(Cl)nc2ccccc12)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2[nH]cnc2cc1F)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2[nH]cnc2nc1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2nc1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2ccccc2c1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2nc[nH]c(=O)c2c1)CCCO3
InChIInChI=1S/3C27H19ClFN3O4.C27H20FN3O5.C26H18F2N4O5.C25H18F2N4O4.C25H18FN5O5.C24H17ClFN5O4/c28-23-14(12-31-19-8-2-1-5-16(19)23)13-32-20-11-18(29)15-7-4-10-36-25(15)22(20)21(24(32)27(34)35)17-6-3-9-30-26(17)33;28-21-11-14(15-5-1-2-8-19(15)31-21)13-32-20-12-18(29)16-7-4-10-36-25(16)23(20)22(24(32)27(34)35)17-6-3-9-30-26(17)33;28-25-15(11-14-5-1-2-8-19(14)31-25)13-32-20-12-18(29)16-7-4-10-36-24(16)22(20)21(23(32)27(34)35)17-6-3-9-30-26(17)33;28-18-12-20-23(25-16(18)7-4-10-36-25)22(17-6-3-9-29-26(17)33)24(27(34)35)31(20)13-14-11-21(32)30-19-8-2-1-5-15(14)19;27-16-8-18-15(25(34)31-11-30-18)7-12(16)10-32-19-9-17(28)13-4-2-6-37-23(13)21(19)20(22(32)26(35)36)14-3-1-5-29-24(14)33;26-15-8-18-17(29-11-30-18)7-12(15)10-31-19-9-16(27)13-4-2-6-35-23(13)21(19)20(22(31)25(33)34)14-3-1-5-28-24(14)32;26-16-8-17-19(21-13(16)4-2-6-36-21)18(14-3-1-5-27-23(14)32)20(25(34)35)31(17)10-12-7-15-22(28-9-12)29-11-30-24(15)33;25-21-11(7-15-22(30-21)29-10-28-15)9-31-16-8-14(26)12-4-2-6-35-20(12)18(16)17(19(31)24(33)34)13-3-1-5-27-23(13)32/h3*1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,30,33)(H,34,35);1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,29,33)(H,30,32)(H,34,35);1,3,5,7-9,11H,2,4,6,10H2,(H,29,33)(H,35,36)(H,30,31,34);1,3,5,7-9,11H,2,4,6,10H2,(H,28,32)(H,29,30)(H,33,34);1,3,5,7-9,11H,2,4,6,10H2,(H,27,32)(H,34,35)(H,28,29,30,33);1,3,5,7-8,10H,2,4,6,9H2,(H,27,32)(H,33,34)(H,28,29,30)
InChIKeyGZHVDPGDXYPRFQ-UHFFFAOYSA-N
MW3959.44 g/mol
LogP35.05
Rot. Bonds32

About 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid

7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid (PubChem CID 158411038) has the molecular formula C208H148Cl4F10N30O35 and a molecular weight of 3959.44 g/mol. Its IUPAC name is 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid.

Molecular Properties

Compound Name7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid
PubChem CID158411038
Molecular FormulaC208H148Cl4F10N30O35
Molecular Weight3959.44 g/mol
Exact Mass3954.93
IUPAC Name7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(Cl)nc2ccccc12)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2[nH]cnc2cc1F)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2[nH]cnc2nc1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2nc1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2ccccc2c1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2nc[nH]c(=O)c2c1)CCCO3
InChIInChI=1S/3C27H19ClFN3O4.C27H20FN3O5.C26H18F2N4O5.C25H18F2N4O4.C25H18FN5O5.C24H17ClFN5O4/c28-23-14(12-31-19-8-2-1-5-16(19)23)13-32-20-11-18(29)15-7-4-10-36-25(15)22(20)21(24(32)27(34)35)17-6-3-9-30-26(17)33;28-21-11-14(15-5-1-2-8-19(15)31-21)13-32-20-12-18(29)16-7-4-10-36-25(16)23(20)22(24(32)27(34)35)17-6-3-9-30-26(17)33;28-25-15(11-14-5-1-2-8-19(14)31-25)13-32-20-12-18(29)16-7-4-10-36-24(16)22(20)21(23(32)27(34)35)17-6-3-9-30-26(17)33;28-18-12-20-23(25-16(18)7-4-10-36-25)22(17-6-3-9-29-26(17)33)24(27(34)35)31(20)13-14-11-21(32)30-19-8-2-1-5-15(14)19;27-16-8-18-15(25(34)31-11-30-18)7-12(16)10-32-19-9-17(28)13-4-2-6-37-23(13)21(19)20(22(32)26(35)36)14-3-1-5-29-24(14)33;26-15-8-18-17(29-11-30-18)7-12(15)10-31-19-9-16(27)13-4-2-6-35-23(13)21(19)20(22(31)25(33)34)14-3-1-5-28-24(14)32;26-16-8-17-19(21-13(16)4-2-6-36-21)18(14-3-1-5-27-23(14)32)20(25(34)35)31(17)10-12-7-15-22(28-9-12)29-11-30-24(15)33;25-21-11(7-15-22(30-21)29-10-28-15)9-31-16-8-14(26)12-4-2-6-35-20(12)18(16)17(19(31)24(33)34)13-3-1-5-27-23(13)32/h3*1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,30,33)(H,34,35);1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,29,33)(H,30,32)(H,34,35);1,3,5,7-9,11H,2,4,6,10H2,(H,29,33)(H,35,36)(H,30,31,34);1,3,5,7-9,11H,2,4,6,10H2,(H,28,32)(H,29,30)(H,33,34);1,3,5,7-9,11H,2,4,6,10H2,(H,27,32)(H,34,35)(H,28,29,30,33);1,3,5,7-8,10H,2,4,6,9H2,(H,27,32)(H,33,34)(H,28,29,30)
InChIKeyGZHVDPGDXYPRFQ-UHFFFAOYSA-N
XLogP35.05
TPSA920.73 Ų
H-Bond Donors21
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003959.44
LogP ≤ 535.05
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1044

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

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What is the IUPAC name of 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid?
The IUPAC name of 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid (CID 158411038) is 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid.
What is the SMILES notation for 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid?
The canonical SMILES for 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(=O)[nH]c2ccccc12)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc(Cl)nc2ccccc12)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2[nH]cnc2cc1F)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2[nH]cnc2nc1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2c(=O)[nH]cnc2cc1F)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2nc1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2ccccc2c1Cl)CCCO3.O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cnc2nc[nH]c(=O)c2c1)CCCO3.
What is the InChIKey of 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid?
The InChIKey is GZHVDPGDXYPRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H19ClFN3O4.C27H20FN3O5.C26H18F2N4O5.C25H18F2N4O4.C25H18FN5O5.C24H17ClFN5O4/c28-23-14(12-31-19-8-2-1-5-16(19)23)13-32-20-11-18(29)15-7-4-10-36-25(15)22(20)21(24(32)27(34)35)17-6-3-9-30-26(17)33;28-21-11-14(15-5-1-2-8-19(15)31-21)13-32-20-12-18(29)16-7-4-10-36-25(16)23(20)22(24(32)27(34)35)17-6-3-9-30-26(17)33;28-25-15(11-14-5-1-2-8-19(14)31-25)13-32-20-12-18(29)16-7-4-10-36-24(16)22(20)21(23(32)27(34)35)17-6-3-9-30-26(17)33;28-18-12-20-23(25-16(18)7-4-10-36-25)22(17-6-3-9-29-26(17)33)24(27(34)35)31(20)13-14-11-21(32)30-19-8-2-1-5-15(14)19;27-16-8-18-15(25(34)31-11-30-18)7-12(16)10-32-19-9-17(28)13-4-2-6-37-23(13)21(19)20(22(32)26(35)36)14-3-1-5-29-24(14)33;26-15-8-18-17(29-11-30-18)7-12(15)10-31-19-9-16(27)13-4-2-6-35-23(13)21(19)20(22(31)25(33)34)14-3-1-5-28-24(14)32;26-16-8-17-19(21-13(16)4-2-6-36-21)18(14-3-1-5-27-23(14)32)20(25(34)35)31(17)10-12-7-15-22(28-9-12)29-11-30-24(15)33;25-21-11(7-15-22(30-21)29-10-28-15)9-31-16-8-14(26)12-4-2-6-35-20(12)18(16)17(19(31)24(33)34)13-3-1-5-27-23(13)32/h3*1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,30,33)(H,34,35);1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,29,33)(H,30,32)(H,34,35);1,3,5,7-9,11H,2,4,6,10H2,(H,29,33)(H,35,36)(H,30,31,34);1,3,5,7-9,11H,2,4,6,10H2,(H,28,32)(H,29,30)(H,33,34);1,3,5,7-9,11H,2,4,6,10H2,(H,27,32)(H,34,35)(H,28,29,30,33);1,3,5,7-8,10H,2,4,6,9H2,(H,27,32)(H,33,34)(H,28,29,30).
What are the key properties of 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid?
7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid has a molecular weight of 3959.44 g/mol, XLogP of 35.05, 32 rotatable bonds, 21 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-1H-imidazo[4,5-b]pyridin-6-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(2-chloroquinolin-4-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;7-[(4-chloroquinolin-3-yl)methyl]-5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-7-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid;5-fluoro-9-(2-oxo-1H-pyridin-3-yl)-7-[(2-oxo-1H-quinolin-4-yl)methyl]-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxylic acid is sourced from PubChem (CID 158411038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).