6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

C21H25BrN4O2 — CID 67465326

IUPAC6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc2c1cnn2C(C)C
InChIInChI=1S/C21H25BrN4O2/c1-5-6-14-7-13(4)25-21(28)17(14)10-23-20(27)16-8-15(22)9-19-18(16)11-24-26(19)12(2)3/h7-9,11-12H,5-6,10H2,1-4H3,(H,23,27)(H,25,28)
InChIKeyIGRUIXGIDUANQR-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.26
Rot. Bonds6

About 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (PubChem CID 67465326) has the molecular formula C21H25BrN4O2 and a molecular weight of 445.36 g/mol. Its IUPAC name is 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
PubChem CID67465326
Molecular FormulaC21H25BrN4O2
Molecular Weight445.36 g/mol
Exact Mass444.12
IUPAC Name6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc2c1cnn2C(C)C
InChIInChI=1S/C21H25BrN4O2/c1-5-6-14-7-13(4)25-21(28)17(14)10-23-20(27)16-8-15(22)9-19-18(16)11-24-26(19)12(2)3/h7-9,11-12H,5-6,10H2,1-4H3,(H,23,27)(H,25,28)
InChIKeyIGRUIXGIDUANQR-UHFFFAOYSA-N
XLogP4.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (CID 67465326) is 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc2c1cnn2C(C)C.
What is the InChIKey of 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is IGRUIXGIDUANQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O2/c1-5-6-14-7-13(4)25-21(28)17(14)10-23-20(27)16-8-15(22)9-19-18(16)11-24-26(19)12(2)3/h7-9,11-12H,5-6,10H2,1-4H3,(H,23,27)(H,25,28).
What are the key properties of 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 67465326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).