N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide

C18H18N4OS — CID 56663308

IUPACN-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)C3CNC3)ccc12
InChIInChI=1S/C18H18N4OS/c1-24-18-15-8-7-13(20-17(23)12-10-19-11-12)9-16(15)22(21-18)14-5-3-2-4-6-14/h2-9,12,19H,10-11H2,1H3,(H,20,23)
InChIKeyOVMCJZIYPZWKSP-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.91
Rot. Bonds4

About N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide

N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide (PubChem CID 56663308) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide
PubChem CID56663308
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)C3CNC3)ccc12
InChIInChI=1S/C18H18N4OS/c1-24-18-15-8-7-13(20-17(23)12-10-19-11-12)9-16(15)22(21-18)14-5-3-2-4-6-14/h2-9,12,19H,10-11H2,1H3,(H,20,23)
InChIKeyOVMCJZIYPZWKSP-UHFFFAOYSA-N
XLogP2.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(methylthio)-1-phenyl-1H-indazol-6-yl)piperidine-4-carboxamide
CID 49800098
3-Methylsulfanyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 53494134
[4-(3-Methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 56659840
3-Methylsulfanyl-6-(1,2,3,6-tetrahydro-pyridin-4-yl)-1-p-tolyl-1H-indazole
CID 56670164
N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide
CID 56676999
3-Methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole
CID 56680271
N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide
CID 56683597
N-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-piperazin-1-ylpropanamide
CID 56683647
N-(3-methylsulfanyl-1-phenylindazol-6-yl)-2-piperidin-4-ylacetamide
CID 56673684
[4-(3-Methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 58483567
1-(3-Methylsulfanyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
CID 58483570
3-Methylsulfanyl-1-phenyl-6-(3-piperazin-1-ylpyrrolidin-1-yl)indazole
CID 58483572

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide (CID 56663308) is N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide is CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CNC3)ccc12.
What is the InChIKey of N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide?
The InChIKey is OVMCJZIYPZWKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-24-18-15-8-7-13(20-17(23)12-10-19-11-12)9-16(15)22(21-18)14-5-3-2-4-6-14/h2-9,12,19H,10-11H2,1H3,(H,20,23).
What are the key properties of N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide?
N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanyl-1-phenylindazol-6-yl)azetidine-3-carboxamide is sourced from PubChem (CID 56663308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).