6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide

C19H17BrN4O2 — CID 71884808

IUPAC6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide
SMILESCOCCn1ncc2ccc(NC(=O)c3cc4ccc(Br)cc4[nH]3)cc21
InChIInChI=1S/C19H17BrN4O2/c1-26-7-6-24-18-10-15(5-3-13(18)11-21-24)22-19(25)17-8-12-2-4-14(20)9-16(12)23-17/h2-5,8-11,23H,6-7H2,1H3,(H,22,25)
InChIKeyFBPXTWGYLBHFQT-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.18
Rot. Bonds5

About 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide

6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide (PubChem CID 71884808) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide
PubChem CID71884808
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC Name6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide
SMILESCOCCn1ncc2ccc(NC(=O)c3cc4ccc(Br)cc4[nH]3)cc21
InChIInChI=1S/C19H17BrN4O2/c1-26-7-6-24-18-10-15(5-3-13(18)11-21-24)22-19(25)17-8-12-2-4-14(20)9-16(12)23-17/h2-5,8-11,23H,6-7H2,1H3,(H,22,25)
InChIKeyFBPXTWGYLBHFQT-UHFFFAOYSA-N
XLogP4.18
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide (CID 71884808) is 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide is COCCn1ncc2ccc(NC(=O)c3cc4ccc(Br)cc4[nH]3)cc21.
What is the InChIKey of 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide?
The InChIKey is FBPXTWGYLBHFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c1-26-7-6-24-18-10-15(5-3-13(18)11-21-24)22-19(25)17-8-12-2-4-14(20)9-16(12)23-17/h2-5,8-11,23H,6-7H2,1H3,(H,22,25).
What are the key properties of 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide?
6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide has a molecular weight of 413.28 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2-methoxyethyl)indazol-6-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71884808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).