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

C20H16ClN5O — CID 162671623

IUPAC6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)ccc12
InChIInChI=1S/C20H16ClN5O/c1-11-9-23-10-18(24-11)13-4-5-14(16(21)7-13)12-3-6-15-17(8-12)25-26-19(15)20(27)22-2/h3-10H,1-2H3,(H,22,27)(H,25,26)
InChIKeyQIQJAZDVYCQJLU-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.01
Rot. Bonds3

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

6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 162671623) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID162671623
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)ccc12
InChIInChI=1S/C20H16ClN5O/c1-11-9-23-10-18(24-11)13-4-5-14(16(21)7-13)12-3-6-15-17(8-12)25-26-19(15)20(27)22-2/h3-10H,1-2H3,(H,22,27)(H,25,26)
InChIKeyQIQJAZDVYCQJLU-UHFFFAOYSA-N
XLogP4.01
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.01
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-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide (CID 162671623) is 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)ccc12.
What is the InChIKey of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is QIQJAZDVYCQJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-11-9-23-10-18(24-11)13-4-5-14(16(21)7-13)12-3-6-15-17(8-12)25-26-19(15)20(27)22-2/h3-10H,1-2H3,(H,22,27)(H,25,26).
What are the key properties of 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide?
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 4.01, 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-(6-methylpyrazin-2-yl)phenyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 162671623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).