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

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Related Compounds

7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176497
1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide
CID 177176730
1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide
CID 177176324
7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176752
6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]-1-(trideuteriomethyl)indazole-5-carboxamide
CID 177176588
6-(4-hydroxyphenoxy)-1-methylindazole-5-carboxamide
CID 177176482
6-[4-[2-[(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)amino]ethoxy]phenoxy]-1-methylindazole-5-carboxamide
CID 177176687
1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide
CID 177176510
ethyl 7-acetyloxy-1-methylindazole-5-carboxylate
CID 170986034
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417

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).