N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide

C22H24FN3O3S — CID 142792803

IUPACN-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide
SMILESCCC(c1ccc2c(C(=O)N(c3ccc(F)cc3)C3CC3)n(C)nc2c1)S(C)(=O)=O
InChIInChI=1S/C22H24FN3O3S/c1-4-20(30(3,28)29)14-5-12-18-19(13-14)24-25(2)21(18)22(27)26(17-10-11-17)16-8-6-15(23)7-9-16/h5-9,12-13,17,20H,4,10-11H2,1-3H3
InChIKeyXKXJXAFCFFMCQT-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.02
Rot. Bonds6

About N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide

N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide (PubChem CID 142792803) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide
PubChem CID142792803
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC NameN-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide
SMILESCCC(c1ccc2c(C(=O)N(c3ccc(F)cc3)C3CC3)n(C)nc2c1)S(C)(=O)=O
InChIInChI=1S/C22H24FN3O3S/c1-4-20(30(3,28)29)14-5-12-18-19(13-14)24-25(2)21(18)22(27)26(17-10-11-17)16-8-6-15(23)7-9-16/h5-9,12-13,17,20H,4,10-11H2,1-3H3
InChIKeyXKXJXAFCFFMCQT-UHFFFAOYSA-N
XLogP4.02
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide (CID 142792803) is N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide is CCC(c1ccc2c(C(=O)N(c3ccc(F)cc3)C3CC3)n(C)nc2c1)S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide?
The InChIKey is XKXJXAFCFFMCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-4-20(30(3,28)29)14-5-12-18-19(13-14)24-25(2)21(18)22(27)26(17-10-11-17)16-8-6-15(23)7-9-16/h5-9,12-13,17,20H,4,10-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide?
N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide is sourced from PubChem (CID 142792803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).