4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol

C106H139ClN22O — CID 157350573

IUPAC4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol
SMILESCC(C)(C)c1c(C2CC2)ccc2[nH]nc(N)c12.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2[nH]ncc12.CC(C)(C)c1cncc2[nH]ncc12.CCc1[nH]nc2ccc(C)c(C(C)(C)C)c12.Cc1cc(Cl)c2[nH]ncc2c1C(C)(C)C.Cc1cnc2[nH]ncc2c1C(C)(C)C.Cc1ncc2[nH]ncc2c1C(C)(C)C
InChIInChI=1S/C14H19N3.C14H20N2.C13H15NO.C12H15ClN2.2C11H15N3.C11H14N2.2C10H13N3/c1-14(2,3)12-9(8-4-5-8)6-7-10-11(12)13(15)17-16-10;1-6-10-12-11(16-15-10)8-7-9(2)13(12)14(3,4)5;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-7-5-9(13)11-8(6-14-15-11)10(7)12(2,3)4;1-7-10(11(2,3)4)8-5-13-14-9(8)6-12-7;1-7-5-12-10-8(6-13-14-10)9(7)11(2,3)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-10(2,3)8-5-11-6-9-7(8)4-12-13-9;1-10(2,3)8-4-5-11-9-7(8)6-12-13-9/h6-8H,4-5H2,1-3H3,(H3,15,16,17);7-8H,6H2,1-5H3,(H,15,16);4-8,15H,1-3H3;5-6H,1-4H3,(H,14,15);5-6H,1-4H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13)
InChIKeyBHMCONOVCVPEGU-UHFFFAOYSA-N
MW1772.88 g/mol
LogP26.61
Rot. Bonds2

About 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol

4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol (PubChem CID 157350573) has the molecular formula C106H139ClN22O and a molecular weight of 1772.88 g/mol. Its IUPAC name is 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol.

Molecular Properties

Compound Name4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol
PubChem CID157350573
Molecular FormulaC106H139ClN22O
Molecular Weight1772.88 g/mol
Exact Mass1771.12
IUPAC Name4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol
SMILESCC(C)(C)c1c(C2CC2)ccc2[nH]nc(N)c12.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2[nH]ncc12.CC(C)(C)c1cncc2[nH]ncc12.CCc1[nH]nc2ccc(C)c(C(C)(C)C)c12.Cc1cc(Cl)c2[nH]ncc2c1C(C)(C)C.Cc1cnc2[nH]ncc2c1C(C)(C)C.Cc1ncc2[nH]ncc2c1C(C)(C)C
InChIInChI=1S/C14H19N3.C14H20N2.C13H15NO.C12H15ClN2.2C11H15N3.C11H14N2.2C10H13N3/c1-14(2,3)12-9(8-4-5-8)6-7-10-11(12)13(15)17-16-10;1-6-10-12-11(16-15-10)8-7-9(2)13(12)14(3,4)5;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-7-5-9(13)11-8(6-14-15-11)10(7)12(2,3)4;1-7-10(11(2,3)4)8-5-13-14-9(8)6-12-7;1-7-5-12-10-8(6-13-14-10)9(7)11(2,3)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-10(2,3)8-5-11-6-9-7(8)4-12-13-9;1-10(2,3)8-4-5-11-9-7(8)6-12-13-9/h6-8H,4-5H2,1-3H3,(H3,15,16,17);7-8H,6H2,1-5H3,(H,15,16);4-8,15H,1-3H3;5-6H,1-4H3,(H,14,15);5-6H,1-4H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13)
InChIKeyBHMCONOVCVPEGU-UHFFFAOYSA-N
XLogP26.61
TPSA340.14 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001772.88
LogP ≤ 526.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol?
The IUPAC name of 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol (CID 157350573) is 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol.
What is the SMILES notation for 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol?
The canonical SMILES for 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol is CC(C)(C)c1c(C2CC2)ccc2[nH]nc(N)c12.CC(C)(C)c1cc(O)cc2cccnc12.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2[nH]ncc12.CC(C)(C)c1cncc2[nH]ncc12.CCc1[nH]nc2ccc(C)c(C(C)(C)C)c12.Cc1cc(Cl)c2[nH]ncc2c1C(C)(C)C.Cc1cnc2[nH]ncc2c1C(C)(C)C.Cc1ncc2[nH]ncc2c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol?
The InChIKey is BHMCONOVCVPEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.C14H20N2.C13H15NO.C12H15ClN2.2C11H15N3.C11H14N2.2C10H13N3/c1-14(2,3)12-9(8-4-5-8)6-7-10-11(12)13(15)17-16-10;1-6-10-12-11(16-15-10)8-7-9(2)13(12)14(3,4)5;1-13(2,3)11-8-10(15)7-9-5-4-6-14-12(9)11;1-7-5-9(13)11-8(6-14-15-11)10(7)12(2,3)4;1-7-10(11(2,3)4)8-5-13-14-9(8)6-12-7;1-7-5-12-10-8(6-13-14-10)9(7)11(2,3)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-10(2,3)8-5-11-6-9-7(8)4-12-13-9;1-10(2,3)8-4-5-11-9-7(8)6-12-13-9/h6-8H,4-5H2,1-3H3,(H3,15,16,17);7-8H,6H2,1-5H3,(H,15,16);4-8,15H,1-3H3;5-6H,1-4H3,(H,14,15);5-6H,1-4H3,(H,13,14);5-6H,1-4H3,(H,12,13,14);4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13).
What are the key properties of 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol?
4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol has a molecular weight of 1772.88 g/mol, XLogP of 26.61, 2 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol is sourced from PubChem (CID 157350573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).