N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide

C20H19FN4OS — CID 46943537

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NC1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C20H19FN4OS/c21-15-6-1-2-8-18(15)25-17-9-5-7-16(14(17)12-23-25)24-19(26)13-27-20-10-3-4-11-22-20/h1-4,6,8,10-12,16H,5,7,9,13H2,(H,24,26)
InChIKeyCXGJHPCCCYIQPN-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 46943537) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID46943537
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NC1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C20H19FN4OS/c21-15-6-1-2-8-18(15)25-17-9-5-7-16(14(17)12-23-25)24-19(26)13-27-20-10-3-4-11-22-20/h1-4,6,8,10-12,16H,5,7,9,13H2,(H,24,26)
InChIKeyCXGJHPCCCYIQPN-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide (CID 46943537) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NC1CCCc2c1cnn2-c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is CXGJHPCCCYIQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-15-6-1-2-8-18(15)25-17-9-5-7-16(14(17)12-23-25)24-19(26)13-27-20-10-3-4-11-22-20/h1-4,6,8,10-12,16H,5,7,9,13H2,(H,24,26).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 382.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 46943537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).