5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole

C83H104Cl2N10O4 — CID 160521901

IUPAC5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
SMILESCC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(Cl)c2c(c1)CC(=O)N2.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C13H17NO.C12H14ClNO.C12H16N2.2C12H15NO.C11H13ClN2.C11H14N2/c1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-12(2,3)8-4-7-5-10(15)14-11(7)9(13)6-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10/h5-6H,7H2,1-4H3,(H,14,15);4,6H,5H2,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13)
InChIKeyQUJOMNMJHLOOQZ-UHFFFAOYSA-N
MW1376.72 g/mol
LogP20.42
Rot. Bonds

About 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole

5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole (PubChem CID 160521901) has the molecular formula C83H104Cl2N10O4 and a molecular weight of 1376.72 g/mol. Its IUPAC name is 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole.

Molecular Properties

Compound Name5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
PubChem CID160521901
Molecular FormulaC83H104Cl2N10O4
Molecular Weight1376.72 g/mol
Exact Mass1374.76
IUPAC Name5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
SMILESCC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(Cl)c2c(c1)CC(=O)N2.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C13H17NO.C12H14ClNO.C12H16N2.2C12H15NO.C11H13ClN2.C11H14N2/c1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-12(2,3)8-4-7-5-10(15)14-11(7)9(13)6-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10/h5-6H,7H2,1-4H3,(H,14,15);4,6H,5H2,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13)
InChIKeyQUJOMNMJHLOOQZ-UHFFFAOYSA-N
XLogP20.42
TPSA202.44 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001376.72
LogP ≤ 520.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole?
The IUPAC name of 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole (CID 160521901) is 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole.
What is the SMILES notation for 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole?
The canonical SMILES for 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole is CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(Cl)c2c(c1)CC(=O)N2.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12.
What is the InChIKey of 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole?
The InChIKey is QUJOMNMJHLOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H14ClNO.C12H16N2.2C12H15NO.C11H13ClN2.C11H14N2/c1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-12(2,3)8-4-7-5-10(15)14-11(7)9(13)6-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10/h5-6H,7H2,1-4H3,(H,14,15);4,6H,5H2,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13).
What are the key properties of 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole?
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole has a molecular weight of 1376.72 g/mol, XLogP of 20.42, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole is sourced from PubChem (CID 160521901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).