(1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

C142H158N26O25S4 — CID 157320556

IUPAC(1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILESCc1cccc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCCC(=O)N4C3)n3nc4ccccc4c3n2)c1.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(-c4ccco4)nc4c5ccccc5nn34)C[C@@H]12.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(-c4cnccn4)nc4c5ccccc5nn34)C[C@@H]12.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(C4CC4)nc4c5ccccc5nn34)C[C@@H]12
InChIInChI=1S/C38H42N6O6S.C35H38N8O6S.C35H38N6O7S.C34H40N6O6S/c1-24-11-10-12-25(19-24)31-21-34(44-35(39-31)29-14-8-9-15-30(29)41-44)50-27-20-32-36(46)40-38(37(47)42-51(48,49)28-17-18-28)22-26(38)13-6-4-2-3-5-7-16-33(45)43(32)23-27;44-30-12-6-4-2-1-3-5-9-22-19-35(22,34(46)41-50(47,48)24-13-14-24)39-33(45)29-17-23(21-42(29)30)49-31-18-27(28-20-36-15-16-37-28)38-32-25-10-7-8-11-26(25)40-43(31)32;42-30-14-6-4-2-1-3-5-10-22-20-35(22,34(44)39-49(45,46)24-15-16-24)37-33(43)28-18-23(21-40(28)30)48-31-19-27(29-13-9-17-47-29)36-32-25-11-7-8-12-26(25)38-41(31)32;41-29-12-6-4-2-1-3-5-9-22-19-34(22,33(43)38-47(44,45)24-15-16-24)36-32(42)28-17-23(20-39(28)29)46-30-18-27(21-13-14-21)35-31-25-10-7-8-11-26(25)37-40(30)31/h6,8-15,19,21,26-28,32H,2-5,7,16-18,20,22-23H2,1H3,(H,40,46)(H,42,47);5,7-11,15-16,18,20,22-24,29H,1-4,6,12-14,17,19,21H2,(H,39,45)(H,41,46);5,7-13,17,19,22-24,28H,1-4,6,14-16,18,20-21H2,(H,37,43)(H,39,44);5,7-11,18,21-24,28H,1-4,6,12-17,19-20H2,(H,36,42)(H,38,43)/b13-6-;9-5-;10-5-;9-5-/t26-,27-,32+,38-;22-,23-,29+,35-;22-,23-,28+,35-;22-,23-,28+,34-/m1111/s1
InChIKeyBECPFOLRSDFSJJ-ZLIWTPPUSA-N
MW2757.25 g/mol
LogP15.07
Rot. Bonds24

About (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

(1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (PubChem CID 157320556) has the molecular formula C142H158N26O25S4 and a molecular weight of 2757.25 g/mol. Its IUPAC name is (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.

Molecular Properties

Compound Name(1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
PubChem CID157320556
Molecular FormulaC142H158N26O25S4
Molecular Weight2757.25 g/mol
Exact Mass2755.08
IUPAC Name(1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
SMILESCc1cccc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCCC(=O)N4C3)n3nc4ccccc4c3n2)c1.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(-c4ccco4)nc4c5ccccc5nn34)C[C@@H]12.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(-c4cnccn4)nc4c5ccccc5nn34)C[C@@H]12.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(C4CC4)nc4c5ccccc5nn34)C[C@@H]12
InChIInChI=1S/C38H42N6O6S.C35H38N8O6S.C35H38N6O7S.C34H40N6O6S/c1-24-11-10-12-25(19-24)31-21-34(44-35(39-31)29-14-8-9-15-30(29)41-44)50-27-20-32-36(46)40-38(37(47)42-51(48,49)28-17-18-28)22-26(38)13-6-4-2-3-5-7-16-33(45)43(32)23-27;44-30-12-6-4-2-1-3-5-9-22-19-35(22,34(46)41-50(47,48)24-13-14-24)39-33(45)29-17-23(21-42(29)30)49-31-18-27(28-20-36-15-16-37-28)38-32-25-10-7-8-11-26(25)40-43(31)32;42-30-14-6-4-2-1-3-5-10-22-20-35(22,34(44)39-49(45,46)24-15-16-24)37-33(43)28-18-23(21-40(28)30)48-31-19-27(29-13-9-17-47-29)36-32-25-11-7-8-12-26(25)38-41(31)32;41-29-12-6-4-2-1-3-5-9-22-19-34(22,33(43)38-47(44,45)24-15-16-24)36-32(42)28-17-23(20-39(28)29)46-30-18-27(21-13-14-21)35-31-25-10-7-8-11-26(25)37-40(30)31/h6,8-15,19,21,26-28,32H,2-5,7,16-18,20,22-23H2,1H3,(H,40,46)(H,42,47);5,7-11,15-16,18,20,22-24,29H,1-4,6,12-14,17,19,21H2,(H,39,45)(H,41,46);5,7-13,17,19,22-24,28H,1-4,6,14-16,18,20-21H2,(H,37,43)(H,39,44);5,7-11,18,21-24,28H,1-4,6,12-17,19-20H2,(H,36,42)(H,38,43)/b13-6-;9-5-;10-5-;9-5-/t26-,27-,32+,38-;22-,23-,29+,35-;22-,23-,28+,35-;22-,23-,28+,34-/m1111/s1
InChIKeyBECPFOLRSDFSJJ-ZLIWTPPUSA-N
XLogP15.07
TPSA647.20 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002757.25
LogP ≤ 515.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,4R,6S,7Z,14S,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-phenylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-[2-phenyl-7-(trifluoromethyl)pyrimido[1,2-b]indazol-4-yl]oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(4-methylphenyl)-7-(trifluoromethyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 157550928
(1S,4R,6S,14S,18R)-14-amino-N-cyclopropylsulfonyl-8,8-difluoro-2,15-dioxo-18-phenanthridin-6-yloxy-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxamide;(1S,4R,6S,14S,18R)-N-cyclopropylsulfonyl-14-[(1,5-dimethylpyrazole-3-carbonyl)amino]-8,8-difluoro-2,15-dioxo-18-phenanthridin-6-yloxy-16-azatricyclo[14.3.0.04,6]nonadecane-4-carboxamide;[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;1,5-dimethylpyrazole-3-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine;hexafluorophosphate
CID 157915507
[5-[5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-3-(methylcarbamoyl)indazol-2-yl]-2-pyridinyl] trifluoromethanesulfonate;5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-[6-(2-methylpropylamino)-3-pyridinyl]indazole-3-carboxamide;5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(6-oxo-1H-pyridin-3-yl)indazole-3-carboxamide;5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(6-phenylmethoxy-3-pyridinyl)indazole-3-carboxamide;5-cyclopropyl-6-(methanesulfonamido)-N-methyl-2-(6-phenylmethoxy-3-pyridinyl)indazole-3-carboxamide
CID 157942540
N-(2-amino-2-methylpropyl)-N-methyl-2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]acetamide;4-cyclopropyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]butan-2-one;6-[(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(E)-3-(dimethylamino)prop-1-enyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;5-hydroxy-4,4-dimethyl-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]pentane-2-thione;6-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
CID 158146727
3-[5-cyclopropyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]propan-1-one;methane
CID 159957906
cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[2-cyclopropyl-7-(trifluoromethyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-2,15-dioxo-18-(2-propylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[2-(methoxymethyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(2-methylpyrimido[1,2-b]indazol-4-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
CID 160617551
CID 161348184
CID 161348184
benzyl 3-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;benzyl 4-[3-cyclopropyl-7-(pyridin-3-ylsulfonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;N-[5-(cyclopentylamino)-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;N-(3-ethynyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide;N-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
CID 161761400
6-(1,3-benzoxazol-5-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(1,3-benzoxazol-5-yl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(1,3-benzoxazol-5-yl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(1,3-benzoxazol-5-yl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(3-cyanophenyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-(3,3-difluoropyrrolidin-1-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-(3-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide
CID 163773670
(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 53340370
(1S,4R,6R,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 58359778
cyclopentyl N-[(1S,4R,6R,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
CID 58359961

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The IUPAC name of (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide (CID 157320556) is (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide.
What is the SMILES notation for (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The canonical SMILES for (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is Cc1cccc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCCC(=O)N4C3)n3nc4ccccc4c3n2)c1.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(-c4ccco4)nc4c5ccccc5nn34)C[C@@H]12.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(-c4cnccn4)nc4c5ccccc5nn34)C[C@@H]12.O=C1N[C@]2(C(=O)NS(=O)(=O)C3CC3)C[C@H]2/C=C\CCCCCCC(=O)N2C[C@H](Oc3cc(C4CC4)nc4c5ccccc5nn34)C[C@@H]12.
What is the InChIKey of (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
The InChIKey is BECPFOLRSDFSJJ-ZLIWTPPUSA-N. The full InChI is InChI=1S/C38H42N6O6S.C35H38N8O6S.C35H38N6O7S.C34H40N6O6S/c1-24-11-10-12-25(19-24)31-21-34(44-35(39-31)29-14-8-9-15-30(29)41-44)50-27-20-32-36(46)40-38(37(47)42-51(48,49)28-17-18-28)22-26(38)13-6-4-2-3-5-7-16-33(45)43(32)23-27;44-30-12-6-4-2-1-3-5-9-22-19-35(22,34(46)41-50(47,48)24-13-14-24)39-33(45)29-17-23(21-42(29)30)49-31-18-27(28-20-36-15-16-37-28)38-32-25-10-7-8-11-26(25)40-43(31)32;42-30-14-6-4-2-1-3-5-10-22-20-35(22,34(44)39-49(45,46)24-15-16-24)37-33(43)28-18-23(21-40(28)30)48-31-19-27(29-13-9-17-47-29)36-32-25-11-7-8-12-26(25)38-41(31)32;41-29-12-6-4-2-1-3-5-9-22-19-34(22,33(43)38-47(44,45)24-15-16-24)36-32(42)28-17-23(20-39(28)29)46-30-18-27(21-13-14-21)35-31-25-10-7-8-11-26(25)37-40(30)31/h6,8-15,19,21,26-28,32H,2-5,7,16-18,20,22-23H2,1H3,(H,40,46)(H,42,47);5,7-11,15-16,18,20,22-24,29H,1-4,6,12-14,17,19,21H2,(H,39,45)(H,41,46);5,7-13,17,19,22-24,28H,1-4,6,14-16,18,20-21H2,(H,37,43)(H,39,44);5,7-11,18,21-24,28H,1-4,6,12-17,19-20H2,(H,36,42)(H,38,43)/b13-6-;9-5-;10-5-;9-5-/t26-,27-,32+,38-;22-,23-,29+,35-;22-,23-,28+,35-;22-,23-,28+,34-/m1111/s1.
What are the key properties of (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide?
(1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide has a molecular weight of 2757.25 g/mol, XLogP of 15.07, 24 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S,7Z,18R)-18-(2-cyclopropylpyrimido[1,2-b]indazol-4-yl)oxy-N-cyclopropylsulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-2,15-dioxo-18-(2-pyrazin-2-ylpyrimido[1,2-b]indazol-4-yl)oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(furan-2-yl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[2-(3-methylphenyl)pyrimido[1,2-b]indazol-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide is sourced from PubChem (CID 157320556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).