6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide

C21H17ClN4O2 — CID 162645791

IUPAC6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12
InChIInChI=1S/C21H17ClN4O2/c1-12-4-3-9-26(21(12)28)14-6-8-15(17(22)11-14)13-5-7-16-18(10-13)24-25-19(16)20(27)23-2/h3-11H,1-2H3,(H,23,27)(H,24,25)
InChIKeySCGLCFWDLLLGPT-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.70
Rot. Bonds3

About 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide

6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 162645791) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID162645791
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12
InChIInChI=1S/C21H17ClN4O2/c1-12-4-3-9-26(21(12)28)14-6-8-15(17(22)11-14)13-5-7-16-18(10-13)24-25-19(16)20(27)23-2/h3-11H,1-2H3,(H,23,27)(H,24,25)
InChIKeySCGLCFWDLLLGPT-UHFFFAOYSA-N
XLogP3.70
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide (CID 162645791) is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12.
What is the InChIKey of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is SCGLCFWDLLLGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-12-4-3-9-26(21(12)28)14-6-8-15(17(22)11-14)13-5-7-16-18(10-13)24-25-19(16)20(27)23-2/h3-11H,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide?
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 162645791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).