1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate

C157H173BrCl3F5I2N26O12S6 — CID 161263939

IUPAC1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate
SMILESCC(C)Cn1cnc(-c2cc3nccc(Cl)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.CC(C)Cn1cnc(I)c1.CCOC(C)CBr.CN1CCN(CCn2cnc(-c3cc4nccc(Oc5ccc(CC(=O)CC6CC6)cc5F)c4s3)c2)CC1.CN1CCNCC1.COCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.Cc1ccc(O)c(F)c1.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C29H32FN5O2S.C26H26FN3O2S.C24H22FN3O3S.C20H19FN4OS.C14H14ClN3S.C7H4ClNS.C7H5ClO2.C7H7FO.C7H11IN2.C5H11BrO.C5H12N2.C3H3IN2.C3H7N/c1-33-8-10-34(11-9-33)12-13-35-18-25(32-19-35)28-17-24-29(38-28)27(6-7-31-24)37-26-5-4-21(16-23(26)30)15-22(36)14-20-2-3-20;1-16(2)13-30-14-22(29-15-30)25-12-21-26(33-25)24(7-8-28-21)32-23-6-5-18(11-20(23)27)10-19(31)9-17-3-4-17;1-30-14-28-12-20(27-13-28)23-11-19-24(32-23)22(6-7-26-19)31-21-5-4-16(10-18(21)25)9-17(29)8-15-2-3-15;1-12(2)9-25-10-16(24-11-25)19-8-15-20(27-19)18(5-6-23-15)26-17-4-3-13(22)7-14(17)21;1-9(2)6-18-7-12(17-8-18)13-5-11-14(19-13)10(15)3-4-16-11;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;1-5-2-3-7(9)6(8)4-5;1-6(2)3-10-4-7(8)9-5-10;1-3-7-5(2)4-6;1-7-4-2-6-3-5-7;4-3-1-5-2-6-3;4-3-1-2-3/h4-7,16-20H,2-3,8-15H2,1H3;5-8,11-12,14-17H,3-4,9-10,13H2,1-2H3;4-7,10-13,15H,2-3,8-9,14H2,1H3;3-8,10-12H,9,22H2,1-2H3;3-5,7-9H,6H2,1-2H3;1-4H;1-5H;2-4,9H,1H3;4-6H,3H2,1-2H3;5H,3-4H2,1-2H3;6H,2-5H2,1H3;1-2H,(H,5,6);3H,1-2,4H2
InChIKeyVCXOXDDLFLWAFU-UHFFFAOYSA-N
MW3343.74 g/mol
LogP39.12
Rot. Bonds42

About 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate

1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate (PubChem CID 161263939) has the molecular formula C157H173BrCl3F5I2N26O12S6 and a molecular weight of 3343.74 g/mol. Its IUPAC name is 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate.

Molecular Properties

Compound Name1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate
PubChem CID161263939
Molecular FormulaC157H173BrCl3F5I2N26O12S6
Molecular Weight3343.74 g/mol
Exact Mass3338.83
IUPAC Name1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate
SMILESCC(C)Cn1cnc(-c2cc3nccc(Cl)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.CC(C)Cn1cnc(I)c1.CCOC(C)CBr.CN1CCN(CCn2cnc(-c3cc4nccc(Oc5ccc(CC(=O)CC6CC6)cc5F)c4s3)c2)CC1.CN1CCNCC1.COCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.Cc1ccc(O)c(F)c1.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C29H32FN5O2S.C26H26FN3O2S.C24H22FN3O3S.C20H19FN4OS.C14H14ClN3S.C7H4ClNS.C7H5ClO2.C7H7FO.C7H11IN2.C5H11BrO.C5H12N2.C3H3IN2.C3H7N/c1-33-8-10-34(11-9-33)12-13-35-18-25(32-19-35)28-17-24-29(38-28)27(6-7-31-24)37-26-5-4-21(16-23(26)30)15-22(36)14-20-2-3-20;1-16(2)13-30-14-22(29-15-30)25-12-21-26(33-25)24(7-8-28-21)32-23-6-5-18(11-20(23)27)10-19(31)9-17-3-4-17;1-30-14-28-12-20(27-13-28)23-11-19-24(32-23)22(6-7-26-19)31-21-5-4-16(10-18(21)25)9-17(29)8-15-2-3-15;1-12(2)9-25-10-16(24-11-25)19-8-15-20(27-19)18(5-6-23-15)26-17-4-3-13(22)7-14(17)21;1-9(2)6-18-7-12(17-8-18)13-5-11-14(19-13)10(15)3-4-16-11;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;1-5-2-3-7(9)6(8)4-5;1-6(2)3-10-4-7(8)9-5-10;1-3-7-5(2)4-6;1-7-4-2-6-3-5-7;4-3-1-5-2-6-3;4-3-1-2-3/h4-7,16-20H,2-3,8-15H2,1H3;5-8,11-12,14-17H,3-4,9-10,13H2,1-2H3;4-7,10-13,15H,2-3,8-9,14H2,1H3;3-8,10-12H,9,22H2,1-2H3;3-5,7-9H,6H2,1-2H3;1-4H;1-5H;2-4,9H,1H3;4-6H,3H2,1-2H3;5H,3-4H2,1-2H3;6H,2-5H2,1H3;1-2H,(H,5,6);3H,1-2,4H2
InChIKeyVCXOXDDLFLWAFU-UHFFFAOYSA-N
XLogP39.12
TPSA439.85 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds42
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003343.74
LogP ≤ 539.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate?
The IUPAC name of 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate (CID 161263939) is 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate.
What is the SMILES notation for 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate?
The canonical SMILES for 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate is CC(C)Cn1cnc(-c2cc3nccc(Cl)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.CC(C)Cn1cnc(I)c1.CCOC(C)CBr.CN1CCN(CCn2cnc(-c3cc4nccc(Oc5ccc(CC(=O)CC6CC6)cc5F)c4s3)c2)CC1.CN1CCNCC1.COCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.Cc1ccc(O)c(F)c1.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.O=C(Cl)Oc1ccccc1.
What is the InChIKey of 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate?
The InChIKey is VCXOXDDLFLWAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O2S.C26H26FN3O2S.C24H22FN3O3S.C20H19FN4OS.C14H14ClN3S.C7H4ClNS.C7H5ClO2.C7H7FO.C7H11IN2.C5H11BrO.C5H12N2.C3H3IN2.C3H7N/c1-33-8-10-34(11-9-33)12-13-35-18-25(32-19-35)28-17-24-29(38-28)27(6-7-31-24)37-26-5-4-21(16-23(26)30)15-22(36)14-20-2-3-20;1-16(2)13-30-14-22(29-15-30)25-12-21-26(33-25)24(7-8-28-21)32-23-6-5-18(11-20(23)27)10-19(31)9-17-3-4-17;1-30-14-28-12-20(27-13-28)23-11-19-24(32-23)22(6-7-26-19)31-21-5-4-16(10-18(21)25)9-17(29)8-15-2-3-15;1-12(2)9-25-10-16(24-11-25)19-8-15-20(27-19)18(5-6-23-15)26-17-4-3-13(22)7-14(17)21;1-9(2)6-18-7-12(17-8-18)13-5-11-14(19-13)10(15)3-4-16-11;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;1-5-2-3-7(9)6(8)4-5;1-6(2)3-10-4-7(8)9-5-10;1-3-7-5(2)4-6;1-7-4-2-6-3-5-7;4-3-1-5-2-6-3;4-3-1-2-3/h4-7,16-20H,2-3,8-15H2,1H3;5-8,11-12,14-17H,3-4,9-10,13H2,1-2H3;4-7,10-13,15H,2-3,8-9,14H2,1H3;3-8,10-12H,9,22H2,1-2H3;3-5,7-9H,6H2,1-2H3;1-4H;1-5H;2-4,9H,1H3;4-6H,3H2,1-2H3;5H,3-4H2,1-2H3;6H,2-5H2,1H3;1-2H,(H,5,6);3H,1-2,4H2.
What are the key properties of 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate?
1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate has a molecular weight of 3343.74 g/mol, XLogP of 39.12, 42 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;1-methylpiperazine;phenyl carbonochloridate is sourced from PubChem (CID 161263939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).