N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide

C22H15N3OS — CID 58828894

IUPACN-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc2cc(-c3cccc4[nH]ncc34)ccc2c1)c1ccsc1
InChIInChI=1S/C22H15N3OS/c26-22(17-8-9-27-13-17)24-18-7-6-14-10-16(5-4-15(14)11-18)19-2-1-3-21-20(19)12-23-25-21/h1-13H,(H,23,25)(H,24,26)
InChIKeyGEASIZWGBAFGDU-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.70
Rot. Bonds3

About N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide

N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide (PubChem CID 58828894) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide
PubChem CID58828894
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC NameN-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc2cc(-c3cccc4[nH]ncc34)ccc2c1)c1ccsc1
InChIInChI=1S/C22H15N3OS/c26-22(17-8-9-27-13-17)24-18-7-6-14-10-16(5-4-15(14)11-18)19-2-1-3-21-20(19)12-23-25-21/h1-13H,(H,23,25)(H,24,26)
InChIKeyGEASIZWGBAFGDU-UHFFFAOYSA-N
XLogP5.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide (CID 58828894) is N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide is O=C(Nc1ccc2cc(-c3cccc4[nH]ncc34)ccc2c1)c1ccsc1.
What is the InChIKey of N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide?
The InChIKey is GEASIZWGBAFGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c26-22(17-8-9-27-13-17)24-18-7-6-14-10-16(5-4-15(14)11-18)19-2-1-3-21-20(19)12-23-25-21/h1-13H,(H,23,25)(H,24,26).
What are the key properties of N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide?
N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 5.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 58828894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).