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

C20H18F2N4OS — CID 42288087

IUPACN-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N4OS/c21-13-7-8-18(15(22)10-13)26-17-5-3-4-16(14(17)11-24-26)25-19(27)12-28-20-6-1-2-9-23-20/h1-2,6-11,16H,3-5,12H2,(H,25,27)/t16-/m1/s1
InChIKeyWFYAFOYAJWKXQC-MRXNPFEDSA-N
MW400.45 g/mol
LogP3.83
Rot. Bonds5

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

N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 42288087) has the molecular formula C20H18F2N4OS and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID42288087
Molecular FormulaC20H18F2N4OS
Molecular Weight400.45 g/mol
Exact Mass400.12
IUPAC NameN-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N4OS/c21-13-7-8-18(15(22)10-13)26-17-5-3-4-16(14(17)11-24-26)25-19(27)12-28-20-6-1-2-9-23-20/h1-2,6-11,16H,3-5,12H2,(H,25,27)/t16-/m1/s1
InChIKeyWFYAFOYAJWKXQC-MRXNPFEDSA-N
XLogP3.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide (CID 42288087) is N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is WFYAFOYAJWKXQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18F2N4OS/c21-13-7-8-18(15(22)10-13)26-17-5-3-4-16(14(17)11-24-26)25-19(27)12-28-20-6-1-2-9-23-20/h1-2,6-11,16H,3-5,12H2,(H,25,27)/t16-/m1/s1.
What are the key properties of N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 400.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 42288087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).