4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide

C25H21N3O2S — CID 135617771

IUPAC4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCc2cccs2)ccc2n[nH]c(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C25H21N3O2S/c1-30-24-20(25(29)26-13-12-19-7-4-14-31-19)10-11-21-22(24)23(28-27-21)18-9-8-16-5-2-3-6-17(16)15-18/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyKKQQDHXHNZNFDX-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.43
Rot. Bonds6

About 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide

4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide (PubChem CID 135617771) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide
PubChem CID135617771
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Name4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCc2cccs2)ccc2n[nH]c(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C25H21N3O2S/c1-30-24-20(25(29)26-13-12-19-7-4-14-31-19)10-11-21-22(24)23(28-27-21)18-9-8-16-5-2-3-6-17(16)15-18/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyKKQQDHXHNZNFDX-UHFFFAOYSA-N
XLogP5.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopentyl(thiophen-3-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 89971805
N-[1-(3-methoxyphenyl)ethyl]-4-methyl-5-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 49830589
N-benzyl-6-methoxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630335
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 22260651
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide
CID 22260762
N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide
CID 22261017
3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
CID 23589678
3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide
CID 23589679
N-(3-amino-3-oxopropyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034593
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034607
N-(4-aminocyclohexyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034686
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 60034708

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide (CID 135617771) is 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NCCc2cccs2)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide?
The InChIKey is KKQQDHXHNZNFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-30-24-20(25(29)26-13-12-19-7-4-14-31-19)10-11-21-22(24)23(28-27-21)18-9-8-16-5-2-3-6-17(16)15-18/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide?
4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 135617771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).