tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate

C21H23N3O2 — CID 170703681

IUPACtert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate
SMILESCc1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-13-5-8-16-17(11-13)22-23-19(16)15-7-6-14-9-10-24(18(14)12-15)20(25)26-21(2,3)4/h5-8,11-12H,9-10H2,1-4H3,(H,22,23)
InChIKeyDMJPFDJUGQNHJR-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.84
Rot. Bonds1

About tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate

tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate (PubChem CID 170703681) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate
PubChem CID170703681
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Nametert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate
SMILESCc1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-13-5-8-16-17(11-13)22-23-19(16)15-7-6-14-9-10-24(18(14)12-15)20(25)26-21(2,3)4/h5-8,11-12H,9-10H2,1-4H3,(H,22,23)
InChIKeyDMJPFDJUGQNHJR-UHFFFAOYSA-N
XLogP4.84
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate (CID 170703681) is tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate is Cc1ccc2c(-c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)n[nH]c2c1.
What is the InChIKey of tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is DMJPFDJUGQNHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-5-8-16-17(11-13)22-23-19(16)15-7-6-14-9-10-24(18(14)12-15)20(25)26-21(2,3)4/h5-8,11-12H,9-10H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate?
tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 170703681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).