4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole

C185H228Br4N26O30S4 — CID 158374568

IUPAC4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESC#CC(C)(C)OC1CCCCO1.C#CC(C)(C)OC1CCCCO1.CC(C)(C#Cc1cc(CO)ccn1)OC1CCCCO1.CC(C)(C#Cc1cc(CO)ccn1)OC1CCCCO1.CC(C)(C#Cc1cc(COc2cc(Br)cnc2[N+](=O)[O-])ccn1)OC1CCCCO1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C#CC(C)(C)O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C#CC(C)(C)OC5CCCCO5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc([N+](=O)[O-])c(OCc4ccnc(C#CC(C)(C)OC5CCCCO5)c4)c3)s2)CC1.Cc1cnc(C2CCN(C)CC2)s1.O=[N+]([O-])c1ncc(Br)cc1O.OCc1ccnc(Br)c1.OCc1ccnc(Br)c1
InChIInChI=1S/C30H35N5O5S.C30H37N5O3S.C25H29N5O2S.C21H22BrN3O5.2C16H21NO3.C10H16N2S.2C10H16O2.2C6H6BrNO.C5H3BrN2O3/c1-30(2,40-27-6-4-5-15-38-27)11-7-24-16-21(8-12-31-24)20-39-25-17-23(18-32-28(25)35(36)37)26-19-33-29(41-26)22-9-13-34(3)14-10-22;1-30(2,38-27-6-4-5-15-36-27)11-7-24-16-21(8-12-32-24)20-37-25-17-23(18-33-28(25)31)26-19-34-29(39-26)22-9-13-35(3)14-10-22;1-25(2,31)8-4-20-12-17(5-9-27-20)16-32-21-13-19(14-28-23(21)26)22-15-29-24(33-22)18-6-10-30(3)11-7-18;1-21(2,30-19-5-3-4-10-28-19)8-6-17-11-15(7-9-23-17)14-29-18-12-16(22)13-24-20(18)25(26)27;2*1-16(2,20-15-5-3-4-10-19-15)8-6-14-11-13(12-18)7-9-17-14;1-8-7-11-10(13-8)9-3-5-12(2)6-4-9;2*1-4-10(2,3)12-9-7-5-6-8-11-9;2*7-6-3-5(4-9)1-2-8-6;6-3-1-4(9)5(7-2-3)8(10)11/h8,12,16-19,22,27H,4-6,9-10,13-15,20H2,1-3H3;8,12,16-19,22,27H,4-6,9-10,13-15,20H2,1-3H3,(H2,31,33);5,9,12-15,18,31H,6-7,10-11,16H2,1-3H3,(H2,26,28);7,9,11-13,19H,3-5,10,14H2,1-2H3;2*7,9,11,15,18H,3-5,10,12H2,1-2H3;7,9H,3-6H2,1-2H3;2*1,9H,5-8H2,2-3H3;2*1-3,9H,4H2;1-2,9H
InChIKeyGVANAMLKJZMOQU-UHFFFAOYSA-N
MW3743.89 g/mol
LogP33.67
Rot. Bonds40

About 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole

4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole (PubChem CID 158374568) has the molecular formula C185H228Br4N26O30S4 and a molecular weight of 3743.89 g/mol. Its IUPAC name is 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole
PubChem CID158374568
Molecular FormulaC185H228Br4N26O30S4
Molecular Weight3743.89 g/mol
Exact Mass3737.27
IUPAC Name4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESC#CC(C)(C)OC1CCCCO1.C#CC(C)(C)OC1CCCCO1.CC(C)(C#Cc1cc(CO)ccn1)OC1CCCCO1.CC(C)(C#Cc1cc(CO)ccn1)OC1CCCCO1.CC(C)(C#Cc1cc(COc2cc(Br)cnc2[N+](=O)[O-])ccn1)OC1CCCCO1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C#CC(C)(C)O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C#CC(C)(C)OC5CCCCO5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc([N+](=O)[O-])c(OCc4ccnc(C#CC(C)(C)OC5CCCCO5)c4)c3)s2)CC1.Cc1cnc(C2CCN(C)CC2)s1.O=[N+]([O-])c1ncc(Br)cc1O.OCc1ccnc(Br)c1.OCc1ccnc(Br)c1
InChIInChI=1S/C30H35N5O5S.C30H37N5O3S.C25H29N5O2S.C21H22BrN3O5.2C16H21NO3.C10H16N2S.2C10H16O2.2C6H6BrNO.C5H3BrN2O3/c1-30(2,40-27-6-4-5-15-38-27)11-7-24-16-21(8-12-31-24)20-39-25-17-23(18-32-28(25)35(36)37)26-19-33-29(41-26)22-9-13-34(3)14-10-22;1-30(2,38-27-6-4-5-15-36-27)11-7-24-16-21(8-12-32-24)20-37-25-17-23(18-33-28(25)31)26-19-34-29(39-26)22-9-13-35(3)14-10-22;1-25(2,31)8-4-20-12-17(5-9-27-20)16-32-21-13-19(14-28-23(21)26)22-15-29-24(33-22)18-6-10-30(3)11-7-18;1-21(2,30-19-5-3-4-10-28-19)8-6-17-11-15(7-9-23-17)14-29-18-12-16(22)13-24-20(18)25(26)27;2*1-16(2,20-15-5-3-4-10-19-15)8-6-14-11-13(12-18)7-9-17-14;1-8-7-11-10(13-8)9-3-5-12(2)6-4-9;2*1-4-10(2,3)12-9-7-5-6-8-11-9;2*7-6-3-5(4-9)1-2-8-6;6-3-1-4(9)5(7-2-3)8(10)11/h8,12,16-19,22,27H,4-6,9-10,13-15,20H2,1-3H3;8,12,16-19,22,27H,4-6,9-10,13-15,20H2,1-3H3,(H2,31,33);5,9,12-15,18,31H,6-7,10-11,16H2,1-3H3,(H2,26,28);7,9,11-13,19H,3-5,10,14H2,1-2H3;2*7,9,11,15,18H,3-5,10,12H2,1-2H3;7,9H,3-6H2,1-2H3;2*1,9H,5-8H2,2-3H3;2*1-3,9H,4H2;1-2,9H
InChIKeyGVANAMLKJZMOQU-UHFFFAOYSA-N
XLogP33.67
TPSA701.07 Ų
H-Bond Donors8
H-Bond Acceptors57
Rotatable Bonds40
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003743.89
LogP ≤ 533.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole (CID 158374568) is 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole is C#CC(C)(C)OC1CCCCO1.C#CC(C)(C)OC1CCCCO1.CC(C)(C#Cc1cc(CO)ccn1)OC1CCCCO1.CC(C)(C#Cc1cc(CO)ccn1)OC1CCCCO1.CC(C)(C#Cc1cc(COc2cc(Br)cnc2[N+](=O)[O-])ccn1)OC1CCCCO1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C#CC(C)(C)O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C#CC(C)(C)OC5CCCCO5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc([N+](=O)[O-])c(OCc4ccnc(C#CC(C)(C)OC5CCCCO5)c4)c3)s2)CC1.Cc1cnc(C2CCN(C)CC2)s1.O=[N+]([O-])c1ncc(Br)cc1O.OCc1ccnc(Br)c1.OCc1ccnc(Br)c1.
What is the InChIKey of 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is GVANAMLKJZMOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O5S.C30H37N5O3S.C25H29N5O2S.C21H22BrN3O5.2C16H21NO3.C10H16N2S.2C10H16O2.2C6H6BrNO.C5H3BrN2O3/c1-30(2,40-27-6-4-5-15-38-27)11-7-24-16-21(8-12-31-24)20-39-25-17-23(18-32-28(25)35(36)37)26-19-33-29(41-26)22-9-13-34(3)14-10-22;1-30(2,38-27-6-4-5-15-36-27)11-7-24-16-21(8-12-32-24)20-37-25-17-23(18-33-28(25)31)26-19-34-29(39-26)22-9-13-35(3)14-10-22;1-25(2,31)8-4-20-12-17(5-9-27-20)16-32-21-13-19(14-28-23(21)26)22-15-29-24(33-22)18-6-10-30(3)11-7-18;1-21(2,30-19-5-3-4-10-28-19)8-6-17-11-15(7-9-23-17)14-29-18-12-16(22)13-24-20(18)25(26)27;2*1-16(2,20-15-5-3-4-10-19-15)8-6-14-11-13(12-18)7-9-17-14;1-8-7-11-10(13-8)9-3-5-12(2)6-4-9;2*1-4-10(2,3)12-9-7-5-6-8-11-9;2*7-6-3-5(4-9)1-2-8-6;6-3-1-4(9)5(7-2-3)8(10)11/h8,12,16-19,22,27H,4-6,9-10,13-15,20H2,1-3H3;8,12,16-19,22,27H,4-6,9-10,13-15,20H2,1-3H3,(H2,31,33);5,9,12-15,18,31H,6-7,10-11,16H2,1-3H3,(H2,26,28);7,9,11-13,19H,3-5,10,14H2,1-2H3;2*7,9,11,15,18H,3-5,10,12H2,1-2H3;7,9H,3-6H2,1-2H3;2*1,9H,5-8H2,2-3H3;2*1-3,9H,4H2;1-2,9H.
What are the key properties of 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 3743.89 g/mol, XLogP of 33.67, 40 rotatable bonds, 8 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-bromo-3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-2-nitropyridine;5-bromo-2-nitropyridin-3-ol;bis((2-bromo-4-pyridinyl)methanol);bis(2-(2-methylbut-3-yn-2-yloxy)oxane);5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole;bis([2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methanol);3-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[5-[[2-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]-4-pyridinyl]methoxy]-6-nitro-3-pyridinyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 158374568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).