N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide

C22H17N3OS — CID 71000958

IUPACN-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1)C1=CCCS1
InChIInChI=1S/C22H17N3OS/c26-22(20-6-3-11-27-20)23-17-9-10-19-18(13-17)21(25-24-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-10,12-13H,3,11H2,(H,23,26)(H,24,25)
InChIKeyXNQKODIGGMLMQD-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.34
Rot. Bonds3

About N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide

N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide (PubChem CID 71000958) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide
PubChem CID71000958
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1)C1=CCCS1
InChIInChI=1S/C22H17N3OS/c26-22(20-6-3-11-27-20)23-17-9-10-19-18(13-17)21(25-24-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-10,12-13H,3,11H2,(H,23,26)(H,24,25)
InChIKeyXNQKODIGGMLMQD-UHFFFAOYSA-N
XLogP5.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide?
The IUPAC name of N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide (CID 71000958) is N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide.
What is the SMILES notation for N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide?
The canonical SMILES for N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide is O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1)C1=CCCS1.
What is the InChIKey of N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide?
The InChIKey is XNQKODIGGMLMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-22(20-6-3-11-27-20)23-17-9-10-19-18(13-17)21(25-24-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-10,12-13H,3,11H2,(H,23,26)(H,24,25).
What are the key properties of N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide?
N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2,3-dihydrothiophene-5-carboxamide is sourced from PubChem (CID 71000958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).