6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

C191H256F2N53+ — CID 161321960

IUPAC6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1[nH]nc2cccnc12.CC(C)(C)c1[nH]nc2ncccc12.CC(C)(C)c1ccc2nnc(C(F)F)n2c1.CC(C)(C)c1ccc2nncn2c1.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1ccnc2[nH]ncc12.CC(C)(C)c1cnc2[nH]ncc2c1.CC(C)(C)c1nccc2cn[nH]c12.CC(C)(C)c1nnc2ccccn12.CC(C)(C)c1nnc2ccccn12.C[N+]1=CC2C=CN=C(C(C)(C)C)C2N1.Cc1cc(C(C)(C)C)c2cnn(C)c2n1.Cc1cnc2n[nH]c(C(C)(C)C)c2c1.Cc1nn(C)c2nccc(C(C)(C)C)c12.Cn1nc(C(C)(C)C)c2cccnc21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2cc(C(C)(C)C)cnc21
InChIInChI=1S/2C12H17N3.C11H13F2N3.2C11H15N3.C11H18N3.2C11H15N3.C11H14N2.9C10H13N3/c1-8-6-10(12(2,3)4)9-7-13-15(5)11(9)14-8;1-8-10-9(12(2,3)4)6-7-13-11(10)15(5)14-8;1-11(2,3)7-4-5-8-14-15-10(9(12)13)16(8)6-7;1-11(2,3)9-5-8-6-13-14(4)10(8)12-7-9;1-7-5-8-9(11(2,3)4)13-14-10(8)12-6-7;1-11(2,3)10-9-8(5-6-12-10)7-14(4)13-9;2*1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-4-5-11-9-7(8)6-12-13-9;1-10(2,3)9-8-7(4-5-11-9)6-12-13-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;2*1-10(2,3)9-12-11-8-6-4-5-7-13(8)9/h2*6-7H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3;5-6H,1-4H3,(H,12,13,14);5-9,13H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3/q;;;;;+1;;;;;;;;;;;;
InChIKeyKXSBLKUFXZWUJI-UHFFFAOYSA-N
MW3332.52 g/mol
LogP40.94
Rot. Bonds1

About 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 161321960) has the molecular formula C191H256F2N53+ and a molecular weight of 3332.52 g/mol. Its IUPAC name is 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID161321960
Molecular FormulaC191H256F2N53+
Molecular Weight3332.52 g/mol
Exact Mass3330.16
IUPAC Name6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1[nH]nc2cccnc12.CC(C)(C)c1[nH]nc2ncccc12.CC(C)(C)c1ccc2nnc(C(F)F)n2c1.CC(C)(C)c1ccc2nncn2c1.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1ccnc2[nH]ncc12.CC(C)(C)c1cnc2[nH]ncc2c1.CC(C)(C)c1nccc2cn[nH]c12.CC(C)(C)c1nnc2ccccn12.CC(C)(C)c1nnc2ccccn12.C[N+]1=CC2C=CN=C(C(C)(C)C)C2N1.Cc1cc(C(C)(C)C)c2cnn(C)c2n1.Cc1cnc2n[nH]c(C(C)(C)C)c2c1.Cc1nn(C)c2nccc(C(C)(C)C)c12.Cn1nc(C(C)(C)C)c2cccnc21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2cc(C(C)(C)C)cnc21
InChIInChI=1S/2C12H17N3.C11H13F2N3.2C11H15N3.C11H18N3.2C11H15N3.C11H14N2.9C10H13N3/c1-8-6-10(12(2,3)4)9-7-13-15(5)11(9)14-8;1-8-10-9(12(2,3)4)6-7-13-11(10)15(5)14-8;1-11(2,3)7-4-5-8-14-15-10(9(12)13)16(8)6-7;1-11(2,3)9-5-8-6-13-14(4)10(8)12-7-9;1-7-5-8-9(11(2,3)4)13-14-10(8)12-6-7;1-11(2,3)10-9-8(5-6-12-10)7-14(4)13-9;2*1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-4-5-11-9-7(8)6-12-13-9;1-10(2,3)9-8-7(4-5-11-9)6-12-13-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;2*1-10(2,3)9-12-11-8-6-4-5-7-13(8)9/h2*6-7H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3;5-6H,1-4H3,(H,12,13,14);5-9,13H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3/q;;;;;+1;;;;;;;;;;;;
InChIKeyKXSBLKUFXZWUJI-UHFFFAOYSA-N
XLogP40.94
TPSA610.00 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds1
Heavy Atoms246
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003332.52
LogP ≤ 540.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine (CID 161321960) is 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1[nH]nc2cccnc12.CC(C)(C)c1[nH]nc2ncccc12.CC(C)(C)c1ccc2nnc(C(F)F)n2c1.CC(C)(C)c1ccc2nncn2c1.CC(C)(C)c1cccc2nncn12.CC(C)(C)c1ccnc2[nH]ncc12.CC(C)(C)c1cnc2[nH]ncc2c1.CC(C)(C)c1nccc2cn[nH]c12.CC(C)(C)c1nnc2ccccn12.CC(C)(C)c1nnc2ccccn12.C[N+]1=CC2C=CN=C(C(C)(C)C)C2N1.Cc1cc(C(C)(C)C)c2cnn(C)c2n1.Cc1cnc2n[nH]c(C(C)(C)C)c2c1.Cc1nn(C)c2nccc(C(C)(C)C)c12.Cn1nc(C(C)(C)C)c2cccnc21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2cc(C(C)(C)C)cnc21.
What is the InChIKey of 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KXSBLKUFXZWUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N3.C11H13F2N3.2C11H15N3.C11H18N3.2C11H15N3.C11H14N2.9C10H13N3/c1-8-6-10(12(2,3)4)9-7-13-15(5)11(9)14-8;1-8-10-9(12(2,3)4)6-7-13-11(10)15(5)14-8;1-11(2,3)7-4-5-8-14-15-10(9(12)13)16(8)6-7;1-11(2,3)9-5-8-6-13-14(4)10(8)12-7-9;1-7-5-8-9(11(2,3)4)13-14-10(8)12-6-7;1-11(2,3)10-9-8(5-6-12-10)7-14(4)13-9;2*1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-4-5-11-9-7(8)6-12-13-9;1-10(2,3)9-8-7(4-5-11-9)6-12-13-8;1-10(2,3)8-5-4-6-9-12-11-7-13(8)9;1-10(2,3)9-8-7(12-13-9)5-4-6-11-8;1-10(2,3)8-7-5-4-6-11-9(7)13-12-8;2*1-10(2,3)9-12-11-8-6-4-5-7-13(8)9/h2*6-7H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3;5-6H,1-4H3,(H,12,13,14);5-9,13H,1-4H3;2*5-7H,1-4H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4-6H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3/q;;;;;+1;;;;;;;;;;;;.
What are the key properties of 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?
6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 3332.52 g/mol, XLogP of 40.94, 1 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;4-tert-butyl-1,3-dimethylpyrazolo[3,4-b]pyridine;4-tert-butyl-1,6-dimethylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-2-methyl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-2-ium;bis(3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine);3-tert-butyl-5-methyl-2H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridine;bis(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine);5-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 161321960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).