1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide

C19H18N6O3 — CID 177176744

IUPAC1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCn4cnnc4)cc3)c21
InChIInChI=1S/C19H18N6O3/c1-24-18-14(10-23-24)8-13(19(20)26)9-17(18)28-16-4-2-15(3-5-16)27-7-6-25-11-21-22-12-25/h2-5,8-12H,6-7H2,1H3,(H2,20,26)
InChIKeyYOLNFPKDBBDEBR-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.13
Rot. Bonds7

About 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide

1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide (PubChem CID 177176744) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide
PubChem CID177176744
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCn4cnnc4)cc3)c21
InChIInChI=1S/C19H18N6O3/c1-24-18-14(10-23-24)8-13(19(20)26)9-17(18)28-16-4-2-15(3-5-16)27-7-6-25-11-21-22-12-25/h2-5,8-12H,6-7H2,1H3,(H2,20,26)
InChIKeyYOLNFPKDBBDEBR-UHFFFAOYSA-N
XLogP2.13
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide?
The IUPAC name of 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide (CID 177176744) is 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide.
What is the SMILES notation for 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide?
The canonical SMILES for 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide is Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCn4cnnc4)cc3)c21.
What is the InChIKey of 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide?
The InChIKey is YOLNFPKDBBDEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-24-18-14(10-23-24)8-13(19(20)26)9-17(18)28-16-4-2-15(3-5-16)27-7-6-25-11-21-22-12-25/h2-5,8-12H,6-7H2,1H3,(H2,20,26).
What are the key properties of 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide?
1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide is sourced from PubChem (CID 177176744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).