4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C24H19N3O2S — CID 23589808

IUPAC4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccs2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C24H19N3O2S/c1-29-23-19(24(28)25-14-18-7-4-12-30-18)10-11-20-21(23)22(27-26-20)17-9-8-15-5-2-3-6-16(15)13-17/h2-13H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyXIQJNXFHJUVCEM-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.38
Rot. Bonds5

About 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589808) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589808
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccs2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C24H19N3O2S/c1-29-23-19(24(28)25-14-18-7-4-12-30-18)10-11-20-21(23)22(27-26-20)17-9-8-15-5-2-3-6-16(15)13-17/h2-13H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyXIQJNXFHJUVCEM-UHFFFAOYSA-N
XLogP5.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 23589808) is 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is XIQJNXFHJUVCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-29-23-19(24(28)25-14-18-7-4-12-30-18)10-11-20-21(23)22(27-26-20)17-9-8-15-5-2-3-6-16(15)13-17/h2-13H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
4-methoxy-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 5.38, 5 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-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).