magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride

C174H204Br5Cl2F11IMgN29O14S8 — CID 158502039

IUPACmagnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride
SMILESCC(C)(C)[S@@](=O)N=CC1CC1.CC(C)(C)[S@](N)=O.CC(C)(C)n1nc[c-]c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc(I)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](N)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](N[S@](=O)C(C)(C)C)C2CC2)c1-c1cc(F)ccc1Br.Cc1ccc(S(=O)(=O)Cl)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1.O=CC1CC1.[Cl-].[Mg+2]
InChIInChI=1S/C23H23BrF4N4O2S.2C23H25FN4O2S.C21H29BrFN3OS.C19H17FN4O2S.C17H21BrFN3.C13H13BrFIN2.C13H13BrFN2.C8H15NOS.C6H6ClNO2S.C4H11NOS.C4H6O.ClH.Mg/c1-22(2,3)32-21(16-10-14(25)6-8-18(16)24)17(12-30-32)20(13-4-5-13)31-35(33,34)15-7-9-19(29-11-15)23(26,27)28;2*1-14-5-9-17(12-25-14)31(29,30)27-20-10-8-16(24)11-18(20)22-19(21(27)15-6-7-15)13-26-28(22)23(2,3)4;1-20(2,3)26-19(15-11-14(23)9-10-17(15)22)16(12-24-26)18(13-7-8-13)25-28(27)21(4,5)6;1-11-2-6-14(9-21-11)27(25,26)24-17-7-5-13(20)8-15(17)18-16(10-22-23-18)19(24)12-3-4-12;1-17(2,3)22-16(12-8-11(19)6-7-14(12)18)13(9-21-22)15(20)10-4-5-10;1-13(2,3)18-12(11(16)7-17-18)9-6-8(15)4-5-10(9)14;1-13(2,3)17-12(6-7-16-17)10-8-9(15)4-5-11(10)14;1-8(2,3)11(10)9-6-7-4-5-7;1-5-2-3-6(4-8-5)11(7,9)10;1-4(2,3)7(5)6;5-3-4-1-2-4;;/h6-13,20,31H,4-5H2,1-3H3;2*5,8-13,15,21H,6-7H2,1-4H3;9-13,18,25H,7-8H2,1-6H3;2,5-10,12,19H,3-4H2,1H3,(H,22,23);6-10,15H,4-5,20H2,1-3H3;4-7H,1-3H3;4-5,7-8H,1-3H3;6-7H,4-5H2,1-3H3;2-4H,1H3;5H2,1-3H3;3-4H,1-2H2;1H;/q;;;;;;;-1;;;;;;+2/p-1/t20-;2*21-;18-,28-;19-;15-;;;11-;;7-;;;/m111111..1.1.../s1
InChIKeyFXLGDBQCKLFMNK-GORJMIEVSA-M
MW4012.88 g/mol
LogP39.26
Rot. Bonds29

About magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride

magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride (PubChem CID 158502039) has the molecular formula C174H204Br5Cl2F11IMgN29O14S8 and a molecular weight of 4012.88 g/mol. Its IUPAC name is magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride.

Molecular Properties

Compound Namemagnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride
PubChem CID158502039
Molecular FormulaC174H204Br5Cl2F11IMgN29O14S8
Molecular Weight4012.88 g/mol
Exact Mass4003.79
IUPAC Namemagnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride
SMILESCC(C)(C)[S@@](=O)N=CC1CC1.CC(C)(C)[S@](N)=O.CC(C)(C)n1nc[c-]c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc(I)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](N)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](N[S@](=O)C(C)(C)C)C2CC2)c1-c1cc(F)ccc1Br.Cc1ccc(S(=O)(=O)Cl)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1.O=CC1CC1.[Cl-].[Mg+2]
InChIInChI=1S/C23H23BrF4N4O2S.2C23H25FN4O2S.C21H29BrFN3OS.C19H17FN4O2S.C17H21BrFN3.C13H13BrFIN2.C13H13BrFN2.C8H15NOS.C6H6ClNO2S.C4H11NOS.C4H6O.ClH.Mg/c1-22(2,3)32-21(16-10-14(25)6-8-18(16)24)17(12-30-32)20(13-4-5-13)31-35(33,34)15-7-9-19(29-11-15)23(26,27)28;2*1-14-5-9-17(12-25-14)31(29,30)27-20-10-8-16(24)11-18(20)22-19(21(27)15-6-7-15)13-26-28(22)23(2,3)4;1-20(2,3)26-19(15-11-14(23)9-10-17(15)22)16(12-24-26)18(13-7-8-13)25-28(27)21(4,5)6;1-11-2-6-14(9-21-11)27(25,26)24-17-7-5-13(20)8-15(17)18-16(10-22-23-18)19(24)12-3-4-12;1-17(2,3)22-16(12-8-11(19)6-7-14(12)18)13(9-21-22)15(20)10-4-5-10;1-13(2,3)18-12(11(16)7-17-18)9-6-8(15)4-5-10(9)14;1-13(2,3)17-12(6-7-16-17)10-8-9(15)4-5-11(10)14;1-8(2,3)11(10)9-6-7-4-5-7;1-5-2-3-6(4-8-5)11(7,9)10;1-4(2,3)7(5)6;5-3-4-1-2-4;;/h6-13,20,31H,4-5H2,1-3H3;2*5,8-13,15,21H,6-7H2,1-4H3;9-13,18,25H,7-8H2,1-6H3;2,5-10,12,19H,3-4H2,1H3,(H,22,23);6-10,15H,4-5,20H2,1-3H3;4-7H,1-3H3;4-5,7-8H,1-3H3;6-7H,4-5H2,1-3H3;2-4H,1H3;5H2,1-3H3;3-4H,1-2H2;1H;/q;;;;;;;-1;;;;;;+2/p-1/t20-;2*21-;18-,28-;19-;15-;;;11-;;7-;;;/m111111..1.1.../s1
InChIKeyFXLGDBQCKLFMNK-GORJMIEVSA-M
XLogP39.26
TPSA555.03 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004012.88
LogP ≤ 539.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride with MolForge

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Related Compounds

N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;1-tert-butyl-4-cyclopropyl-8-fluoropyrazolo[4,5-c]quinoline;(4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4H-pyrazolo[4,5-c]quinoline;N-[(R)-[1-tert-butyl-5-(3-fluorophenyl)pyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 160826445

Frequently Asked Questions

What is the IUPAC name of magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride?
The IUPAC name of magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride (CID 158502039) is magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride.
What is the SMILES notation for magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride?
The canonical SMILES for magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride is CC(C)(C)[S@@](=O)N=CC1CC1.CC(C)(C)[S@](N)=O.CC(C)(C)n1nc[c-]c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc(I)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](N)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](N[S@](=O)C(C)(C)C)C2CC2)c1-c1cc(F)ccc1Br.Cc1ccc(S(=O)(=O)Cl)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3[nH]ncc3[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1.Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3-c3c(cnn3C(C)(C)C)[C@H]2C2CC2)cn1.O=CC1CC1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride?
The InChIKey is FXLGDBQCKLFMNK-GORJMIEVSA-M. The full InChI is InChI=1S/C23H23BrF4N4O2S.2C23H25FN4O2S.C21H29BrFN3OS.C19H17FN4O2S.C17H21BrFN3.C13H13BrFIN2.C13H13BrFN2.C8H15NOS.C6H6ClNO2S.C4H11NOS.C4H6O.ClH.Mg/c1-22(2,3)32-21(16-10-14(25)6-8-18(16)24)17(12-30-32)20(13-4-5-13)31-35(33,34)15-7-9-19(29-11-15)23(26,27)28;2*1-14-5-9-17(12-25-14)31(29,30)27-20-10-8-16(24)11-18(20)22-19(21(27)15-6-7-15)13-26-28(22)23(2,3)4;1-20(2,3)26-19(15-11-14(23)9-10-17(15)22)16(12-24-26)18(13-7-8-13)25-28(27)21(4,5)6;1-11-2-6-14(9-21-11)27(25,26)24-17-7-5-13(20)8-15(17)18-16(10-22-23-18)19(24)12-3-4-12;1-17(2,3)22-16(12-8-11(19)6-7-14(12)18)13(9-21-22)15(20)10-4-5-10;1-13(2,3)18-12(11(16)7-17-18)9-6-8(15)4-5-10(9)14;1-13(2,3)17-12(6-7-16-17)10-8-9(15)4-5-11(10)14;1-8(2,3)11(10)9-6-7-4-5-7;1-5-2-3-6(4-8-5)11(7,9)10;1-4(2,3)7(5)6;5-3-4-1-2-4;;/h6-13,20,31H,4-5H2,1-3H3;2*5,8-13,15,21H,6-7H2,1-4H3;9-13,18,25H,7-8H2,1-6H3;2,5-10,12,19H,3-4H2,1H3,(H,22,23);6-10,15H,4-5,20H2,1-3H3;4-7H,1-3H3;4-5,7-8H,1-3H3;6-7H,4-5H2,1-3H3;2-4H,1H3;5H2,1-3H3;3-4H,1-2H2;1H;/q;;;;;;;-1;;;;;;+2/p-1/t20-;2*21-;18-,28-;19-;15-;;;11-;;7-;;;/m111111..1.1.../s1.
What are the key properties of magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride?
magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride has a molecular weight of 4012.88 g/mol, XLogP of 39.26, 29 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-iodopyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4H-pyrazol-4-ide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;(R)-N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methylpropane-2-sulfinamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;bis((4R)-1-tert-butyl-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-4H-pyrazolo[4,5-c]quinoline);cyclopropanecarbaldehyde;(4R)-4-cyclopropyl-8-fluoro-5-[(6-methyl-3-pyridinyl)sulfonyl]-1,4-dihydropyrazolo[4,5-c]quinoline;(R)-N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide;6-methylpyridine-3-sulfonyl chloride;chloride is sourced from PubChem (CID 158502039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).