3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide

C21H25BrN4O — CID 67420346

IUPAC3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide
SMILESCC(C)(C)N1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)cc23)CC1
InChIInChI=1S/C21H25BrN4O/c1-21(2,3)26-8-6-25(7-9-26)14-4-5-15-16-10-13(22)11-17(20(23)27)19(16)24-18(15)12-14/h4-5,10-12,24H,6-9H2,1-3H3,(H2,23,27)
InChIKeyQQQIBBLPJSYDSD-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.10
Rot. Bonds2

About 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide

3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide (PubChem CID 67420346) has the molecular formula C21H25BrN4O and a molecular weight of 429.36 g/mol. Its IUPAC name is 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide
PubChem CID67420346
Molecular FormulaC21H25BrN4O
Molecular Weight429.36 g/mol
Exact Mass428.12
IUPAC Name3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide
SMILESCC(C)(C)N1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)cc23)CC1
InChIInChI=1S/C21H25BrN4O/c1-21(2,3)26-8-6-25(7-9-26)14-4-5-15-16-10-13(22)11-17(20(23)27)19(16)24-18(15)12-14/h4-5,10-12,24H,6-9H2,1-3H3,(H2,23,27)
InChIKeyQQQIBBLPJSYDSD-UHFFFAOYSA-N
XLogP4.10
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide (CID 67420346) is 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide is CC(C)(C)N1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)cc23)CC1.
What is the InChIKey of 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
The InChIKey is QQQIBBLPJSYDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O/c1-21(2,3)26-8-6-25(7-9-26)14-4-5-15-16-10-13(22)11-17(20(23)27)19(16)24-18(15)12-14/h4-5,10-12,24H,6-9H2,1-3H3,(H2,23,27).
What are the key properties of 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide?
3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide has a molecular weight of 429.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(4-tert-butylpiperazin-1-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 67420346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).