7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide

C18H19N3O4 — CID 177176497

IUPAC7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCCO)cc3)c21
InChIInChI=1S/C18H19N3O4/c1-21-17-13(11-20-21)9-12(18(19)23)10-16(17)25-15-5-3-14(4-6-15)24-8-2-7-22/h3-6,9-11,22H,2,7-8H2,1H3,(H2,19,23)
InChIKeyFZNQYZCJYWPVMB-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.23
Rot. Bonds7

About 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide

7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide (PubChem CID 177176497) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound Name7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide
PubChem CID177176497
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCCO)cc3)c21
InChIInChI=1S/C18H19N3O4/c1-21-17-13(11-20-21)9-12(18(19)23)10-16(17)25-15-5-3-14(4-6-15)24-8-2-7-22/h3-6,9-11,22H,2,7-8H2,1H3,(H2,19,23)
InChIKeyFZNQYZCJYWPVMB-UHFFFAOYSA-N
XLogP2.23
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide
CID 177176744
1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide
CID 177176324
1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide
CID 177176730
7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176752
6-[4-[2-[(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)amino]ethoxy]phenoxy]-1-methylindazole-5-carboxamide
CID 177176687
6-(4-hydroxyphenoxy)-1-methylindazole-5-carboxamide
CID 177176482
6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]-1-(trideuteriomethyl)indazole-5-carboxamide
CID 177176588
ethyl 7-acetyloxy-1-methylindazole-5-carboxylate
CID 170986034
1-ethyl-6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]indazole-5-carboxamide
CID 177176510
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417
4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The IUPAC name of 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide (CID 177176497) is 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide.
What is the SMILES notation for 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The canonical SMILES for 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide is Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCCO)cc3)c21.
What is the InChIKey of 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide?
The InChIKey is FZNQYZCJYWPVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-21-17-13(11-20-21)9-12(18(19)23)10-16(17)25-15-5-3-14(4-6-15)24-8-2-7-22/h3-6,9-11,22H,2,7-8H2,1H3,(H2,19,23).
What are the key properties of 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide?
7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 177176497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).