N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C22H24FN3O2S — CID 24790795

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1
InChIInChI=1S/C22H24FN3O2S/c1-22(2)10-18(25-21(27)20-9-8-16(28-20)13-29-3)17-12-24-26(19(17)11-22)15-6-4-14(23)5-7-15/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,27)
InChIKeyAYDOXQXVVHTETN-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.91
Rot. Bonds5

About N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 24790795) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID24790795
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1
InChIInChI=1S/C22H24FN3O2S/c1-22(2)10-18(25-21(27)20-9-8-16(28-20)13-29-3)17-12-24-26(19(17)11-22)15-6-4-14(23)5-7-15/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,27)
InChIKeyAYDOXQXVVHTETN-UHFFFAOYSA-N
XLogP4.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 24790795) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is AYDOXQXVVHTETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-22(2)10-18(25-21(27)20-9-8-16(28-20)13-29-3)17-12-24-26(19(17)11-22)15-6-4-14(23)5-7-15/h4-9,12,18H,10-11,13H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 24790795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).