N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide

C20H22FN3O2S — CID 142179186

IUPACN-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCOc1cc2n[nH]c(C3CCCC(F)C3)c2cc1NC(=O)Cc1cccs1
InChIInChI=1S/C20H22FN3O2S/c1-26-18-11-16-15(20(24-23-16)12-4-2-5-13(21)8-12)10-17(18)22-19(25)9-14-6-3-7-27-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyICRPJVXKTZRCJR-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.81
Rot. Bonds5

About N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 142179186) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID142179186
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCOc1cc2n[nH]c(C3CCCC(F)C3)c2cc1NC(=O)Cc1cccs1
InChIInChI=1S/C20H22FN3O2S/c1-26-18-11-16-15(20(24-23-16)12-4-2-5-13(21)8-12)10-17(18)22-19(25)9-14-6-3-7-27-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyICRPJVXKTZRCJR-UHFFFAOYSA-N
XLogP4.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-(3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazol-5-yl)-2-(thiophen-3-yl)acetamide
CID 89501535
N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 89509674
N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 9867731
ALP-POS-a3de0cb1-3
CID 156907068
5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide
CID 134142757
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide
CID 22260696
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 22260787
3-(dimethylamino)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]propanamide
CID 22260925
N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
CID 23589899
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]cyclopropanecarboxamide
CID 23589902
N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 60034744
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide
CID 60034904

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 142179186) is N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide is COc1cc2n[nH]c(C3CCCC(F)C3)c2cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is ICRPJVXKTZRCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-26-18-11-16-15(20(24-23-16)12-4-2-5-13(21)8-12)10-17(18)22-19(25)9-14-6-3-7-27-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 387.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorocyclohexyl)-6-methoxy-2H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 142179186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).