tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)

C175H217ClF12N34O6S2 — CID 161223665

About tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)

tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole) (PubChem CID 161223665) has the molecular formula C175H217ClF12N34O6S2 and a molecular weight of 3220.46 g/mol. Its IUPAC name is tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole).

Molecular Properties

• Compound Name: tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)
• PubChem CID: 161223665
• Molecular Formula: C175H217ClF12N34O6S2
• Molecular Weight: 3220.46 g/mol
• Exact Mass: 3217.67
• IUPAC Name: tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)
• SMILES: CC1=NCc2cc(C)ccc21.CCC1=NCc2cc(C)ccc21.CCc1nn(C(=O)OC(C)(C)C)c2cc(C)ccc12.COc1cc(C)cs1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C)s1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)OCO2.Cc1ccc2n[nH]c(C)c2c1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnc(N)nc1.Cc1n[nH]c(C)c1C.Cc1n[nH]c(C)c1C.Cn1ccnc1
• InChI: InChI=1S/C15H20N2O2.C11H16N2.C11H13N.C10H14N2O.C10H12N2.C10H11N.C10H10.C9H10N2.C9H9N.C8H8O2.C6H6ClN.2C6H7F3N2.2C6H10N2.C6H7N.C6H8OS.C6H8S.2C5H5F3N2.C5H7N3.C5H8N2.C4H6N2/c1-6-12-11-8-7-10(2)9-13(11)17(16-12)14(18)19-15(3,4)5;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-3-11-10-5-4-8(2)6-9(10)7-12-11;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-7-3-4-10-8(2)11-6-9(10)5-7;1-8-5-6-9-3-2-4-10(9)7-8;1-6-3-4-9-8(5-6)7(2)10-11-9;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-8-6(7)4-5;2*1-3-4(2)10-11-5(3)6(7,8)9;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;1-5-3-6(7-2)8-4-5;1-5-3-4-6(2)7-5;2*1-3-2-9-10-4(3)5(6,7)8;1-4-2-7-5(6)8-3-4;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h7-9H,6H2,1-5H3;5-6,9H,2-4,7-8H2,1H3;4-6H,3,7H2,1-2H3;2-3,8H,4-7H2,1H3;4-6H,1-3H3;3-5H,6H2,1-2H3;2-3,5-7H,4H2,1H3;3-5H,1-2H3,(H,10,11);2-6,10H,1H3;2-4H,5H2,1H3;2-4H,1H3;2*1-2H3,(H,10,11);2*1-3H3,(H,7,8);2-5H,1H3;3-4H,1-2H3;3-4H,1-2H3;2*2H,1H3,(H,9,10);2-3H,1H3,(H2,6,7,8);3H,1-2H3,(H,6,7);2-4H,1H3
• InChIKey: UXVNLDRZDNMCFD-UHFFFAOYSA-N
• XLogP: 43.37
• TPSA: 496.47 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 5
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3220.46
LogP ≤ 5	43.37
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)?

The IUPAC name of tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole) (CID 161223665) is tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole).

What is the SMILES notation for tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)?

The canonical SMILES for tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole) is CC1=NCc2cc(C)ccc21.CCC1=NCc2cc(C)ccc21.CCc1nn(C(=O)OC(C)(C)C)c2cc(C)ccc12.COc1cc(C)cs1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C)s1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)OCO2.Cc1ccc2n[nH]c(C)c2c1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnc(N)nc1.Cc1n[nH]c(C)c1C.Cc1n[nH]c(C)c1C.Cn1ccnc1.

What is the InChIKey of tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)?

The InChIKey is UXVNLDRZDNMCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C11H16N2.C11H13N.C10H14N2O.C10H12N2.C10H11N.C10H10.C9H10N2.C9H9N.C8H8O2.C6H6ClN.2C6H7F3N2.2C6H10N2.C6H7N.C6H8OS.C6H8S.2C5H5F3N2.C5H7N3.C5H8N2.C4H6N2/c1-6-12-11-8-7-10(2)9-13(11)17(16-12)14(18)19-15(3,4)5;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-3-11-10-5-4-8(2)6-9(10)7-12-11;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-7-3-4-10-8(2)11-6-9(10)5-7;1-8-5-6-9-3-2-4-10(9)7-8;1-6-3-4-9-8(5-6)7(2)10-11-9;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-8-6(7)4-5;2*1-3-4(2)10-11-5(3)6(7,8)9;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;1-5-3-6(7-2)8-4-5;1-5-3-4-6(2)7-5;2*1-3-2-9-10-4(3)5(6,7)8;1-4-2-7-5(6)8-3-4;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h7-9H,6H2,1-5H3;5-6,9H,2-4,7-8H2,1H3;4-6H,3,7H2,1-2H3;2-3,8H,4-7H2,1H3;4-6H,1-3H3;3-5H,6H2,1-2H3;2-3,5-7H,4H2,1H3;3-5H,1-2H3,(H,10,11);2-6,10H,1H3;2-4H,5H2,1H3;2-4H,1H3;2*1-2H3,(H,10,11);2*1-3H3,(H,7,8);2-5H,1H3;3-4H,1-2H3;3-4H,1-2H3;2*2H,1H3,(H,9,10);2-3H,1H3,(H2,6,7,8);3H,1-2H3,(H,6,7);2-4H,1H3.

What are the key properties of tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)?

tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole) has a molecular weight of 3220.46 g/mol, XLogP of 43.37, 5 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole) is sourced from PubChem (CID 161223665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).