N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide

C19H16N4OS — CID 11268067

IUPACN-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCc2c(sc3ccccc23)C1
InChIInChI=1S/C19H16N4OS/c24-19(20-18-14-6-1-3-7-15(14)21-22-18)23-10-9-13-12-5-2-4-8-16(12)25-17(13)11-23/h1-8H,9-11H2,(H2,20,21,22,24)
InChIKeyFJFAREAHHSDIMR-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds1

About N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide

N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide (PubChem CID 11268067) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide
PubChem CID11268067
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCc2c(sc3ccccc23)C1
InChIInChI=1S/C19H16N4OS/c24-19(20-18-14-6-1-3-7-15(14)21-22-18)23-10-9-13-12-5-2-4-8-16(12)25-17(13)11-23/h1-8H,9-11H2,(H2,20,21,22,24)
InChIKeyFJFAREAHHSDIMR-UHFFFAOYSA-N
XLogP4.37
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide (CID 11268067) is N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCc2c(sc3ccccc23)C1.
What is the InChIKey of N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is FJFAREAHHSDIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(20-18-14-6-1-3-7-15(14)21-22-18)23-10-9-13-12-5-2-4-8-16(12)25-17(13)11-23/h1-8H,9-11H2,(H2,20,21,22,24).
What are the key properties of N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide?
N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11268067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).