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6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

C25H23FN4O4S — CID 121250954

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C25H23FN4O4S/c1-15(2)34-20-13-18(12-19(26)14-20)22-9-8-21(24(28-22)17-6-4-16(3)5-7-17)25(31)30-35(32,33)23-10-11-27-29-23/h4-15H,1-3H3,(H,27,29)(H,30,31)
InChIKeyOXKNMRDTPJGYJX-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.49
Rot. Bonds7

About 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 121250954) has the molecular formula C25H23FN4O4S and a molecular weight of 494.55 g/mol. Its IUPAC name is 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
PubChem CID121250954
Molecular FormulaC25H23FN4O4S
Molecular Weight494.55 g/mol
Exact Mass494.14
IUPAC Name6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C25H23FN4O4S/c1-15(2)34-20-13-18(12-19(26)14-20)22-9-8-21(24(28-22)17-6-4-16(3)5-7-17)25(31)30-35(32,33)23-10-11-27-29-23/h4-15H,1-3H3,(H,27,29)(H,30,31)
InChIKeyOXKNMRDTPJGYJX-UHFFFAOYSA-N
XLogP4.49
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (CID 121250954) is 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is Cc1ccc(-c2nc(-c3cc(F)cc(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The InChIKey is OXKNMRDTPJGYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S/c1-15(2)34-20-13-18(12-19(26)14-20)22-9-8-21(24(28-22)17-6-4-16(3)5-7-17)25(31)30-35(32,33)23-10-11-27-29-23/h4-15H,1-3H3,(H,27,29)(H,30,31).
What are the key properties of 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-propan-2-yloxyphenyl)-2-(4-methylphenyl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 121250954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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