4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide

C24H20N4O2S — CID 135617773

IUPAC4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCc2nccs2)ccc2n[nH]c(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C24H20N4O2S/c1-30-23-18(24(29)26-11-10-20-25-12-13-31-20)8-9-19-21(23)22(28-27-19)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,12-14H,10-11H2,1H3,(H,26,29)(H,27,28)
InChIKeyPELVELWNYPQSAC-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.82
Rot. Bonds6

About 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide

4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide (PubChem CID 135617773) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide
PubChem CID135617773
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCc2nccs2)ccc2n[nH]c(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C24H20N4O2S/c1-30-23-18(24(29)26-11-10-20-25-12-13-31-20)8-9-19-21(23)22(28-27-19)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,12-14H,10-11H2,1H3,(H,26,29)(H,27,28)
InChIKeyPELVELWNYPQSAC-UHFFFAOYSA-N
XLogP4.82
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591354
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 60034708
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034772
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034781
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
CID 60034797
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60034805
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
CID 60034984
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-1H-indazole-5-carboxamide
CID 60035030
3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 60053843
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 72628095
3-[2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628136
3-[2-(3,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72628143

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide (CID 135617773) is 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NCCc2nccs2)ccc2n[nH]c(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide?
The InChIKey is PELVELWNYPQSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-30-23-18(24(29)26-11-10-20-25-12-13-31-20)8-9-19-21(23)22(28-27-19)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,12-14H,10-11H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide?
4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-naphthalen-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 135617773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).