2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide

C21H23N7O — CID 46997907

IUPAC2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2ncc3cc(-c4ccc(N(C)C)cc4)ccc32)n1
InChIInChI=1S/C21H23N7O/c1-4-28-23-13-20(25-28)24-21(29)14-27-19-10-7-16(11-17(19)12-22-27)15-5-8-18(9-6-15)26(2)3/h5-13H,4,14H2,1-3H3,(H,24,25,29)
InChIKeyDZLIKCLYCOLSDU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.02
Rot. Bonds6

About 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide

2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide (PubChem CID 46997907) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
PubChem CID46997907
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2ncc3cc(-c4ccc(N(C)C)cc4)ccc32)n1
InChIInChI=1S/C21H23N7O/c1-4-28-23-13-20(25-28)24-21(29)14-27-19-10-7-16(11-17(19)12-22-27)15-5-8-18(9-6-15)26(2)3/h5-13H,4,14H2,1-3H3,(H,24,25,29)
InChIKeyDZLIKCLYCOLSDU-UHFFFAOYSA-N
XLogP3.02
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide (CID 46997907) is 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide is CCn1ncc(NC(=O)Cn2ncc3cc(-c4ccc(N(C)C)cc4)ccc32)n1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The InChIKey is DZLIKCLYCOLSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-4-28-23-13-20(25-28)24-21(29)14-27-19-10-7-16(11-17(19)12-22-27)15-5-8-18(9-6-15)26(2)3/h5-13H,4,14H2,1-3H3,(H,24,25,29).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]indazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide is sourced from PubChem (CID 46997907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).