5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine

C151H132F12N24O15S4 — CID 172964935

IUPAC5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCCCS(=O)(=O)Cc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)c4ccc(C)cc4)ccc32)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(N4CCN(C)CC4)cc23)c1F.Cc1ccc(-c2cc3c(Oc4ccc5c(c4)[C@H]4C(O5)[C@@H]4c4nc5ccc(C(F)(F)F)cc5[nH]4)ccnc3[nH]c2=O)cc1.Cc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)C5CC[C@@H](F)C5)c4F)c3c2)cc1.Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1
InChIInChI=1S/C32H21F3N4O3.C29H27F2N5O2S.C26H22F3N3O3S.C24H21F2N3O3S.C22H25F2N5O3S.C18H16N4O/c1-15-2-4-16(5-3-15)19-14-21-25(10-11-36-29(21)39-31(19)40)41-18-7-9-24-20(13-18)26-27(28(26)42-24)30-37-22-8-6-17(32(33,34)35)12-23(22)38-30;1-4-13-39(37,38)17-20-7-10-24(30)29(27(20)31)36-16-23(21-14-32-18-33-15-21)28-25(36)11-12-26(34-28)35(3)22-8-5-19(2)6-9-22;1-14-2-4-15(5-3-14)16-10-19-20(13-31-26(19)30-12-16)25(33)23-21(28)8-9-22(24(23)29)32-36(34,35)18-7-6-17(27)11-18;1-3-10-33(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-16(12-27-24)15-6-4-14(2)5-7-15;1-3-10-33(31,32)27-18-5-4-17(23)19(20(18)24)21(30)16-13-26-22-15(16)11-14(12-25-22)29-8-6-28(2)7-9-29;1-22-11-16(18(20-22)12-6-8-19-9-7-12)14-2-4-15-13(10-14)3-5-17(15)21-23/h2-14,26-28H,1H3,(H,37,38)(H,36,39,40);5-12,14-16,18H,4,13,17H2,1-3H3;2-5,8-10,12-13,17-18,32H,6-7,11H2,1H3,(H,30,31);4-9,11-13,29H,3,10H2,1-2H3,(H,27,28);4-5,11-13,27H,3,6-10H2,1-2H3,(H,25,26);2,4,6-11,23H,3,5H2,1H3/b;;;;;21-17+/t26-,27-,28?;;17-,18?;;;/m1.1.../s1
InChIKeyJZEQBVBIUUXLDZ-IJQVAUAWSA-N
MW2879.11 g/mol
LogP30.52
Rot. Bonds34

About 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine

5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 172964935) has the molecular formula C151H132F12N24O15S4 and a molecular weight of 2879.11 g/mol. Its IUPAC name is 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID172964935
Molecular FormulaC151H132F12N24O15S4
Molecular Weight2879.11 g/mol
Exact Mass2876.90
IUPAC Name5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCCCS(=O)(=O)Cc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)c4ccc(C)cc4)ccc32)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(N4CCN(C)CC4)cc23)c1F.Cc1ccc(-c2cc3c(Oc4ccc5c(c4)[C@H]4C(O5)[C@@H]4c4nc5ccc(C(F)(F)F)cc5[nH]4)ccnc3[nH]c2=O)cc1.Cc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)C5CC[C@@H](F)C5)c4F)c3c2)cc1.Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1
InChIInChI=1S/C32H21F3N4O3.C29H27F2N5O2S.C26H22F3N3O3S.C24H21F2N3O3S.C22H25F2N5O3S.C18H16N4O/c1-15-2-4-16(5-3-15)19-14-21-25(10-11-36-29(21)39-31(19)40)41-18-7-9-24-20(13-18)26-27(28(26)42-24)30-37-22-8-6-17(32(33,34)35)12-23(22)38-30;1-4-13-39(37,38)17-20-7-10-24(30)29(27(20)31)36-16-23(21-14-32-18-33-15-21)28-25(36)11-12-26(34-28)35(3)22-8-5-19(2)6-9-22;1-14-2-4-15(5-3-14)16-10-19-20(13-31-26(19)30-12-16)25(33)23-21(28)8-9-22(24(23)29)32-36(34,35)18-7-6-17(27)11-18;1-3-10-33(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-16(12-27-24)15-6-4-14(2)5-7-15;1-3-10-33(31,32)27-18-5-4-17(23)19(20(18)24)21(30)16-13-26-22-15(16)11-14(12-25-22)29-8-6-28(2)7-9-29;1-22-11-16(18(20-22)12-6-8-19-9-7-12)14-2-4-15-13(10-14)3-5-17(15)21-23/h2-14,26-28H,1H3,(H,37,38)(H,36,39,40);5-12,14-16,18H,4,13,17H2,1-3H3;2-5,8-10,12-13,17-18,32H,6-7,11H2,1H3,(H,30,31);4-9,11-13,29H,3,10H2,1-2H3,(H,27,28);4-5,11-13,27H,3,6-10H2,1-2H3,(H,25,26);2,4,6-11,23H,3,5H2,1H3/b;;;;;21-17+/t26-,27-,28?;;17-,18?;;;/m1.1.../s1
InChIKeyJZEQBVBIUUXLDZ-IJQVAUAWSA-N
XLogP30.52
TPSA519.41 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002879.11
LogP ≤ 530.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 172964935) is 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine is CCCS(=O)(=O)Cc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)c4ccc(C)cc4)ccc32)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C)cc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(N4CCN(C)CC4)cc23)c1F.Cc1ccc(-c2cc3c(Oc4ccc5c(c4)[C@H]4C(O5)[C@@H]4c4nc5ccc(C(F)(F)F)cc5[nH]4)ccnc3[nH]c2=O)cc1.Cc1ccc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)C5CC[C@@H](F)C5)c4F)c3c2)cc1.Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1.
What is the InChIKey of 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is JZEQBVBIUUXLDZ-IJQVAUAWSA-N. The full InChI is InChI=1S/C32H21F3N4O3.C29H27F2N5O2S.C26H22F3N3O3S.C24H21F2N3O3S.C22H25F2N5O3S.C18H16N4O/c1-15-2-4-16(5-3-15)19-14-21-25(10-11-36-29(21)39-31(19)40)41-18-7-9-24-20(13-18)26-27(28(26)42-24)30-37-22-8-6-17(32(33,34)35)12-23(22)38-30;1-4-13-39(37,38)17-20-7-10-24(30)29(27(20)31)36-16-23(21-14-32-18-33-15-21)28-25(36)11-12-26(34-28)35(3)22-8-5-19(2)6-9-22;1-14-2-4-15(5-3-14)16-10-19-20(13-31-26(19)30-12-16)25(33)23-21(28)8-9-22(24(23)29)32-36(34,35)18-7-6-17(27)11-18;1-3-10-33(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-16(12-27-24)15-6-4-14(2)5-7-15;1-3-10-33(31,32)27-18-5-4-17(23)19(20(18)24)21(30)16-13-26-22-15(16)11-14(12-25-22)29-8-6-28(2)7-9-29;1-22-11-16(18(20-22)12-6-8-19-9-7-12)14-2-4-15-13(10-14)3-5-17(15)21-23/h2-14,26-28H,1H3,(H,37,38)(H,36,39,40);5-12,14-16,18H,4,13,17H2,1-3H3;2-5,8-10,12-13,17-18,32H,6-7,11H2,1H3,(H,30,31);4-9,11-13,29H,3,10H2,1-2H3,(H,27,28);4-5,11-13,27H,3,6-10H2,1-2H3,(H,25,26);2,4,6-11,23H,3,5H2,1H3/b;;;;;21-17+/t26-,27-,28?;;17-,18?;;;/m1.1.../s1.
What are the key properties of 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 2879.11 g/mol, XLogP of 30.52, 34 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;(3R)-N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorocyclopentane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]-N-methyl-N-(4-methylphenyl)-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-amine;(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 172964935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).