N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide

C22H23FN4OS — CID 24791047

IUPACN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CSc2ccccn2)C1
InChIInChI=1S/C22H23FN4OS/c1-22(2)11-18(26-20(28)14-29-21-8-3-4-9-24-21)17-13-25-27(19(17)12-22)16-7-5-6-15(23)10-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,26,28)
InChIKeyFOVXODPNFLKDCV-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.33
Rot. Bonds5

About N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 24791047) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID24791047
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CSc2ccccn2)C1
InChIInChI=1S/C22H23FN4OS/c1-22(2)11-18(26-20(28)14-29-21-8-3-4-9-24-21)17-13-25-27(19(17)12-22)16-7-5-6-15(23)10-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,26,28)
InChIKeyFOVXODPNFLKDCV-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-pyrazinyl)propanamide
CID 24792097
N-(2-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519613
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(methylthio)acetamide
CID 23723499
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-pyridinylthio)acetamide
CID 24790569
2-((6-(4-(1H-pyrazol-1-yl)phenyl)pyridazin-3-yl)thio)-N-(o-tolyl)acetamide
CID 7519599
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3-(4-pyridinyl)propanamide
CID 24818920
N-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222467
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-4-ylsulfanylacetamide
CID 24791064
N-[6,6-dimethyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(3-pyridinyl)propanamide
CID 24791558
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(methylthio)nicotinamide
CID 24793849
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(4-pyridinyl)propanamide
CID 24794003
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-4-ylpropanamide
CID 24817435

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide (CID 24791047) is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide is CC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)CSc2ccccn2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is FOVXODPNFLKDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-22(2)11-18(26-20(28)14-29-21-8-3-4-9-24-21)17-13-25-27(19(17)12-22)16-7-5-6-15(23)10-16/h3-10,13,18H,11-12,14H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide?
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 410.52 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 24791047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).