N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide

C23H25FN4O5S — CID 155464361

IUPACN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2C(O)C(=O)NS(=O)(=O)c2cnn(C3CC3)c2)ccn1
InChIInChI=1S/C23H25FN4O5S/c1-13(2)18-9-15(24)10-19(14-6-7-25-20(8-14)33-3)21(18)22(29)23(30)27-34(31,32)17-11-26-28(12-17)16-4-5-16/h6-13,16,22,29H,4-5H2,1-3H3,(H,27,30)
InChIKeyUAAFJOARJIMCBQ-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.09
Rot. Bonds8

About N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide

N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide (PubChem CID 155464361) has the molecular formula C23H25FN4O5S and a molecular weight of 488.54 g/mol. Its IUPAC name is N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide
PubChem CID155464361
Molecular FormulaC23H25FN4O5S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC NameN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2C(O)C(=O)NS(=O)(=O)c2cnn(C3CC3)c2)ccn1
InChIInChI=1S/C23H25FN4O5S/c1-13(2)18-9-15(24)10-19(14-6-7-25-20(8-14)33-3)21(18)22(29)23(30)27-34(31,32)17-11-26-28(12-17)16-4-5-16/h6-13,16,22,29H,4-5H2,1-3H3,(H,27,30)
InChIKeyUAAFJOARJIMCBQ-UHFFFAOYSA-N
XLogP3.09
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide?
The IUPAC name of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide (CID 155464361) is N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide?
The canonical SMILES for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide is COc1cc(-c2cc(F)cc(C(C)C)c2C(O)C(=O)NS(=O)(=O)c2cnn(C3CC3)c2)ccn1.
What is the InChIKey of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide?
The InChIKey is UAAFJOARJIMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5S/c1-13(2)18-9-15(24)10-19(14-6-7-25-20(8-14)33-3)21(18)22(29)23(30)27-34(31,32)17-11-26-28(12-17)16-4-5-16/h6-13,16,22,29H,4-5H2,1-3H3,(H,27,30).
What are the key properties of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide?
N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide has a molecular weight of 488.54 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-2-hydroxyacetamide is sourced from PubChem (CID 155464361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).