5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide

C18H21BrN4O — CID 126714908

IUPAC5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide
SMILESCCC(C)(NC(=O)c1cc2cc(Br)cc(C)c2[nH]1)c1cnn(C)c1
InChIInChI=1S/C18H21BrN4O/c1-5-18(3,13-9-20-23(4)10-13)22-17(24)15-8-12-7-14(19)6-11(2)16(12)21-15/h6-10,21H,5H2,1-4H3,(H,22,24)
InChIKeyXSRXKRNJRGLYFM-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.03
Rot. Bonds4

About 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide

5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide (PubChem CID 126714908) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide
PubChem CID126714908
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide
SMILESCCC(C)(NC(=O)c1cc2cc(Br)cc(C)c2[nH]1)c1cnn(C)c1
InChIInChI=1S/C18H21BrN4O/c1-5-18(3,13-9-20-23(4)10-13)22-17(24)15-8-12-7-14(19)6-11(2)16(12)21-15/h6-10,21H,5H2,1-4H3,(H,22,24)
InChIKeyXSRXKRNJRGLYFM-UHFFFAOYSA-N
XLogP4.03
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide (CID 126714908) is 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide is CCC(C)(NC(=O)c1cc2cc(Br)cc(C)c2[nH]1)c1cnn(C)c1.
What is the InChIKey of 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is XSRXKRNJRGLYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-5-18(3,13-9-20-23(4)10-13)22-17(24)15-8-12-7-14(19)6-11(2)16(12)21-15/h6-10,21H,5H2,1-4H3,(H,22,24).
What are the key properties of 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide?
5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 126714908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).