N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide

C21H23FN4O4S — CID 155527767

IUPACN-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide
SMILESCC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)c(F)cc23)cn1
InChIInChI=1S/C21H23FN4O4S/c1-12(2)11-30-19-7-4-13(10-23-19)20-16-8-17(22)15(9-18(16)26(3)24-20)21(27)25-31(28,29)14-5-6-14/h4,7-10,12,14H,5-6,11H2,1-3H3,(H,25,27)
InChIKeyFJKQUKONXVRWFW-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.03
Rot. Bonds7

About N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide

N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide (PubChem CID 155527767) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide
PubChem CID155527767
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide
SMILESCC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)c(F)cc23)cn1
InChIInChI=1S/C21H23FN4O4S/c1-12(2)11-30-19-7-4-13(10-23-19)20-16-8-17(22)15(9-18(16)26(3)24-20)21(27)25-31(28,29)14-5-6-14/h4,7-10,12,14H,5-6,11H2,1-3H3,(H,25,27)
InChIKeyFJKQUKONXVRWFW-UHFFFAOYSA-N
XLogP3.03
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide (CID 155527767) is N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide is CC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)c(F)cc23)cn1.
What is the InChIKey of N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide?
The InChIKey is FJKQUKONXVRWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-12(2)11-30-19-7-4-13(10-23-19)20-16-8-17(22)15(9-18(16)26(3)24-20)21(27)25-31(28,29)14-5-6-14/h4,7-10,12,14H,5-6,11H2,1-3H3,(H,25,27).
What are the key properties of N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide?
N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]indazole-6-carboxamide is sourced from PubChem (CID 155527767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).