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

C23H25FN4O4S — CID 155464079

IUPACN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnn(C3CC3)c2)ccn1
InChIInChI=1S/C23H25FN4O4S/c1-14(2)19-9-16(24)10-20(15-6-7-25-23(8-15)32-3)21(19)11-22(29)27-33(30,31)18-12-26-28(13-18)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-3H3,(H,27,29)
InChIKeyPZORVFQFDQFYNG-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.60
Rot. Bonds8

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

N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155464079) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155464079
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC NameN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnn(C3CC3)c2)ccn1
InChIInChI=1S/C23H25FN4O4S/c1-14(2)19-9-16(24)10-20(15-6-7-25-23(8-15)32-3)21(19)11-22(29)27-33(30,31)18-12-26-28(13-18)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-3H3,(H,27,29)
InChIKeyPZORVFQFDQFYNG-UHFFFAOYSA-N
XLogP3.60
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]acetamide?
The IUPAC name of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155464079) is N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=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]acetamide?
The InChIKey is PZORVFQFDQFYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-14(2)19-9-16(24)10-20(15-6-7-25-23(8-15)32-3)21(19)11-22(29)27-33(30,31)18-12-26-28(13-18)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-3H3,(H,27,29).
What are the key properties of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 472.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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]acetamide is sourced from PubChem (CID 155464079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).