5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide

C21H22FN3O3 — CID 170602911

IUPAC5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide
SMILESCn1nc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(CO)CCC1
InChIInChI=1S/C21H22FN3O3/c1-25-19(20(27)23-21(13-26)9-4-10-21)16-11-15(7-8-18(16)24-25)28-12-14-5-2-3-6-17(14)22/h2-3,5-8,11,26H,4,9-10,12-13H2,1H3,(H,23,27)
InChIKeyJUSSCOASIUBTHC-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.94
Rot. Bonds6

About 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide

5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide (PubChem CID 170602911) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide
PubChem CID170602911
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide
SMILESCn1nc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(CO)CCC1
InChIInChI=1S/C21H22FN3O3/c1-25-19(20(27)23-21(13-26)9-4-10-21)16-11-15(7-8-18(16)24-25)28-12-14-5-2-3-6-17(14)22/h2-3,5-8,11,26H,4,9-10,12-13H2,1H3,(H,23,27)
InChIKeyJUSSCOASIUBTHC-UHFFFAOYSA-N
XLogP2.94
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(2-hydroxyethyl)cyclobutyl]-2-methyl-5-phenylmethoxyindazole-3-carboxamide
CID 170602534
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]indazole-3-carboxamide
CID 170602682
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379307
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
CID 170602684
2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
CID 170357791
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide
CID 170602871
N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163381037
2-methyl-5-(pyridin-2-ylmethoxy)indazole-3-carboxamide
CID 170419321
2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide
CID 170417303
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 146264146
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide (CID 170602911) is 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide is Cn1nc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(CO)CCC1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide?
The InChIKey is JUSSCOASIUBTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-25-19(20(27)23-21(13-26)9-4-10-21)16-11-15(7-8-18(16)24-25)28-12-14-5-2-3-6-17(14)22/h2-3,5-8,11,26H,4,9-10,12-13H2,1H3,(H,23,27).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide?
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide is sourced from PubChem (CID 170602911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).