2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one

C157H120F3N49O14S8 — CID 158482991

IUPAC2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
SMILESCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21.CN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21.COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21.COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1
InChIInChI=1S/C24H20FN7O3S.C24H21N7O3S.C23H17N7S2.C22H16FN7O2S.C22H17N7O2S.C21H14FN7O2S.C21H15N7O2S/c1-30-11-15(9-27-30)14-7-18(25)23-28-29-24(32(23)12-14)36-16-3-4-19-17(8-16)22-20(10-26-19)31(5-6-34-2)21(33)13-35-22;1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23-20(11-25-19)30(7-8-33-2)22(32)14-34-23;1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13;1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20;1-27-10-14(8-24-27)13-3-6-19-25-26-22(29(19)11-13)32-15-4-5-17-16(7-15)21-18(9-23-17)28(2)20(30)12-31-21;1-28-8-12(6-24-28)11-4-15(22)20-26-27-21(29(20)9-11)32-13-2-3-16-14(5-13)19-17(7-23-16)25-18(30)10-31-19;1-27-9-13(7-23-27)12-2-5-18-25-26-21(28(18)10-12)31-14-3-4-16-15(6-14)20-17(8-22-16)24-19(29)11-30-20/h3-4,7-12H,5-6,13H2,1-2H3;3-6,9-13H,7-8,14H2,1-2H3;4-13H,2-3H2,1H3;3-10H,11H2,1-2H3;3-11H,12H2,1-2H3;2-9H,10H2,1H3,(H,25,30);2-10H,11H2,1H3,(H,24,29)
InChIKeyHHTDKICHZXTEFW-UHFFFAOYSA-N
MW3230.55 g/mol
LogP24.82
Rot. Bonds28

About 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one

2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one (PubChem CID 158482991) has the molecular formula C157H120F3N49O14S8 and a molecular weight of 3230.55 g/mol. Its IUPAC name is 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
PubChem CID158482991
Molecular FormulaC157H120F3N49O14S8
Molecular Weight3230.55 g/mol
Exact Mass3227.79
IUPAC Name2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
SMILESCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21.CN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21.COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21.COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1
InChIInChI=1S/C24H20FN7O3S.C24H21N7O3S.C23H17N7S2.C22H16FN7O2S.C22H17N7O2S.C21H14FN7O2S.C21H15N7O2S/c1-30-11-15(9-27-30)14-7-18(25)23-28-29-24(32(23)12-14)36-16-3-4-19-17(8-16)22-20(10-26-19)31(5-6-34-2)21(33)13-35-22;1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23-20(11-25-19)30(7-8-33-2)22(32)14-34-23;1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13;1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20;1-27-10-14(8-24-27)13-3-6-19-25-26-22(29(19)11-13)32-15-4-5-17-16(7-15)21-18(9-23-17)28(2)20(30)12-31-21;1-28-8-12(6-24-28)11-4-15(22)20-26-27-21(29(20)9-11)32-13-2-3-16-14(5-13)19-17(7-23-16)25-18(30)10-31-19;1-27-9-13(7-23-27)12-2-5-18-25-26-21(28(18)10-12)31-14-3-4-16-15(6-14)20-17(8-22-16)24-19(29)11-30-20/h3-4,7-12H,5-6,13H2,1-2H3;3-6,9-13H,7-8,14H2,1-2H3;4-13H,2-3H2,1H3;3-10H,11H2,1-2H3;3-11H,12H2,1-2H3;2-9H,10H2,1H3,(H,25,30);2-10H,11H2,1H3,(H,24,29)
InChIKeyHHTDKICHZXTEFW-UHFFFAOYSA-N
XLogP24.82
TPSA652.47 Ų
H-Bond Donors2
H-Bond Acceptors65
Rotatable Bonds28
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003230.55
LogP ≤ 524.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1065

Analyze 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one with MolForge

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Launch Full Analysis

Related Compounds

Dalmelitinib
CID 86302574
9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 86292125
9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 86292126
9-[[8-Fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one
CID 86292128
(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158513087
CID 158754162
CID 158754162
2,2-difluoro-N-[6-[[1-(3-methyl-2-pyridinyl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-N-[6-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[6-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenylpyrrolo[3,2-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(7-phenylpyrrolo[2,3-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
CID 159324249
9-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-fluoro-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;8-fluoro-4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one
CID 160000444
2,2-difluoro-N-[4-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[[1-(1-methyltetrazol-5-yl)indol-2-yl]oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(7-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(7-phenylimidazo[4,5-d]triazin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(4-phenylimidazo[2,1-e]tetrazol-5-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[4-[(5-phenyl-7H-pyrrolo[2,1-e]tetrazol-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide;2,2-difluoro-N-[6-[(5-phenyltetrazolo[1,5-a]pyridin-6-yl)oxymethyl]-2-pyridinyl]propanamide;2,2-difluoro-N-[4-[(5-phenyltetrazolo[1,5-a]pyridin-6-yl)oxymethyl]-1,3-thiazol-2-yl]propanamide
CID 160415314
9-[[8-Fluoro-6-[1-[2-[9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-oxo-[1,4]oxazino[3,2-c]quinolin-4-yl]ethoxyamino]-3-methyliminoprop-1-en-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one
CID 173783372
5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one
CID 157325212
cyclopropyl-[9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]oxazino[3,2-c]quinolin-4-yl]methanone;9-[[8-(difluoromethoxy)-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-4a,10b-dihydro-[1,4]oxazino[3,2-c]quinolin-3-one;10-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-2,3-dihydro-[1,4]dioxino[2,3-c]quinoline;(15S)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene;(15R)-4-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-17-oxa-8,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9-pentaene
CID 157377694

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one?
The IUPAC name of 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one (CID 158482991) is 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one.
What is the SMILES notation for 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one?
The canonical SMILES for 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one is CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21.CN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21.COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21.COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21.Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.
What is the InChIKey of 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one?
The InChIKey is HHTDKICHZXTEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O3S.C24H21N7O3S.C23H17N7S2.C22H16FN7O2S.C22H17N7O2S.C21H14FN7O2S.C21H15N7O2S/c1-30-11-15(9-27-30)14-7-18(25)23-28-29-24(32(23)12-14)36-16-3-4-19-17(8-16)22-20(10-26-19)31(5-6-34-2)21(33)13-35-22;1-29-12-16(10-26-29)15-3-6-21-27-28-24(31(21)13-15)35-17-4-5-19-18(9-17)23-20(11-25-19)30(7-8-33-2)22(32)14-34-23;1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13;1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20;1-27-10-14(8-24-27)13-3-6-19-25-26-22(29(19)11-13)32-15-4-5-17-16(7-15)21-18(9-23-17)28(2)20(30)12-31-21;1-28-8-12(6-24-28)11-4-15(22)20-26-27-21(29(20)9-11)32-13-2-3-16-14(5-13)19-17(7-23-16)25-18(30)10-31-19;1-27-9-13(7-23-27)12-2-5-18-25-26-21(28(18)10-12)31-14-3-4-16-15(6-14)20-17(8-22-16)24-19(29)11-30-20/h3-4,7-12H,5-6,13H2,1-2H3;3-6,9-13H,7-8,14H2,1-2H3;4-13H,2-3H2,1H3;3-10H,11H2,1-2H3;3-11H,12H2,1-2H3;2-9H,10H2,1H3,(H,25,30);2-10H,11H2,1H3,(H,24,29).
What are the key properties of 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one?
2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one has a molecular weight of 3230.55 g/mol, XLogP of 24.82, 28 rotatable bonds, 2 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one is sourced from PubChem (CID 158482991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).