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

C22H19ClN4O2 — CID 162650305

IUPAC6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide
SMILESCCNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12
InChIInChI=1S/C22H19ClN4O2/c1-3-24-21(28)20-17-8-6-14(11-19(17)25-26-20)16-9-7-15(12-18(16)23)27-10-4-5-13(2)22(27)29/h4-12H,3H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyDZXPJQNVEIDPGE-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.09
Rot. Bonds4

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

6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide (PubChem CID 162650305) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide
PubChem CID162650305
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide
SMILESCCNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12
InChIInChI=1S/C22H19ClN4O2/c1-3-24-21(28)20-17-8-6-14(11-19(17)25-26-20)16-9-7-15(12-18(16)23)27-10-4-5-13(2)22(27)29/h4-12H,3H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyDZXPJQNVEIDPGE-UHFFFAOYSA-N
XLogP4.09
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.09
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-ethyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide (CID 162650305) is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide is CCNC(=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-ethyl-1H-indazole-3-carboxamide?
The InChIKey is DZXPJQNVEIDPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-3-24-21(28)20-17-8-6-14(11-19(17)25-26-20)16-9-7-15(12-18(16)23)27-10-4-5-13(2)22(27)29/h4-12H,3H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide?
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-ethyl-1H-indazole-3-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.09, 4 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-ethyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 162650305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).