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

C21H25BrN4O2 — CID 123621923

IUPAC6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CN(C(=O)c1cc(Br)cc2[nH]ncc12)C(C)C
InChIInChI=1S/C21H25BrN4O2/c1-5-6-14-7-13(4)24-20(27)18(14)11-26(12(2)3)21(28)16-8-15(22)9-19-17(16)10-23-25-19/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,27)
InChIKeyHDOUZWJCRNAVKO-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.33
Rot. Bonds6

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

6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide (PubChem CID 123621923) 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]-N-propan-2-yl-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide
PubChem CID123621923
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]-N-propan-2-yl-1H-indazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CN(C(=O)c1cc(Br)cc2[nH]ncc12)C(C)C
InChIInChI=1S/C21H25BrN4O2/c1-5-6-14-7-13(4)24-20(27)18(14)11-26(12(2)3)21(28)16-8-15(22)9-19-17(16)10-23-25-19/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,27)
InChIKeyHDOUZWJCRNAVKO-UHFFFAOYSA-N
XLogP4.33
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]-N-propan-2-yl-1H-indazole-4-carboxamide?
The IUPAC name of 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide (CID 123621923) is 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CN(C(=O)c1cc(Br)cc2[nH]ncc12)C(C)C.
What is the InChIKey of 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide?
The InChIKey is HDOUZWJCRNAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O2/c1-5-6-14-7-13(4)24-20(27)18(14)11-26(12(2)3)21(28)16-8-15(22)9-19-17(16)10-23-25-19/h7-10,12H,5-6,11H2,1-4H3,(H,23,25)(H,24,27).
What are the key properties of 6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide?
6-bromo-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-N-propan-2-yl-1H-indazole-4-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 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]-N-propan-2-yl-1H-indazole-4-carboxamide is sourced from PubChem (CID 123621923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).