2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide

C26H20FN5O3S — CID 21366553

IUPAC2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2F)n1
InChIInChI=1S/C26H20FN5O3S/c1-16-12-23(32(31-16)22-14-18-7-3-2-6-17(18)13-21(22)27)26(33)30-25-11-10-19(15-29-25)20-8-4-5-9-24(20)36(28,34)35/h2-15H,1H3,(H2,28,34,35)(H,29,30,33)
InChIKeyVQAMYEMWIZFFPW-UHFFFAOYSA-N
MW501.54 g/mol
LogP4.43
Rot. Bonds5

About 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide

2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 21366553) has the molecular formula C26H20FN5O3S and a molecular weight of 501.54 g/mol. Its IUPAC name is 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID21366553
Molecular FormulaC26H20FN5O3S
Molecular Weight501.54 g/mol
Exact Mass501.13
IUPAC Name2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2F)n1
InChIInChI=1S/C26H20FN5O3S/c1-16-12-23(32(31-16)22-14-18-7-3-2-6-17(18)13-21(22)27)26(33)30-25-11-10-19(15-29-25)20-8-4-5-9-24(20)36(28,34)35/h2-15H,1H3,(H2,28,34,35)(H,29,30,33)
InChIKeyVQAMYEMWIZFFPW-UHFFFAOYSA-N
XLogP4.43
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 21366553) is 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2F)n1.
What is the InChIKey of 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is VQAMYEMWIZFFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3S/c1-16-12-23(32(31-16)22-14-18-7-3-2-6-17(18)13-21(22)27)26(33)30-25-11-10-19(15-29-25)20-8-4-5-9-24(20)36(28,34)35/h2-15H,1H3,(H2,28,34,35)(H,29,30,33).
What are the key properties of 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide?
2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 21366553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).