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

C25H19FN6O3S — CID 21366554

IUPAC2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2F)n1
InChIInChI=1S/C25H19FN6O3S/c1-15-10-22(32(31-15)21-12-17-7-3-2-6-16(17)11-20(21)26)24(33)30-25-28-13-18(14-29-25)19-8-4-5-9-23(19)36(27,34)35/h2-14H,1H3,(H2,27,34,35)(H,28,29,30,33)
InChIKeyCGXQQRVFJODRKM-UHFFFAOYSA-N
MW502.53 g/mol
LogP3.83
Rot. Bonds5

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

2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide (PubChem CID 21366554) has the molecular formula C25H19FN6O3S and a molecular weight of 502.53 g/mol. Its IUPAC name is 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide
PubChem CID21366554
Molecular FormulaC25H19FN6O3S
Molecular Weight502.53 g/mol
Exact Mass502.12
IUPAC Name2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2F)n1
InChIInChI=1S/C25H19FN6O3S/c1-15-10-22(32(31-15)21-12-17-7-3-2-6-16(17)11-20(21)26)24(33)30-25-28-13-18(14-29-25)19-8-4-5-9-23(19)36(27,34)35/h2-14H,1H3,(H2,27,34,35)(H,28,29,30,33)
InChIKeyCGXQQRVFJODRKM-UHFFFAOYSA-N
XLogP3.83
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide (CID 21366554) is 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)n(-c2cc3ccccc3cc2F)n1.
What is the InChIKey of 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide?
The InChIKey is CGXQQRVFJODRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O3S/c1-15-10-22(32(31-15)21-12-17-7-3-2-6-16(17)11-20(21)26)24(33)30-25-28-13-18(14-29-25)19-8-4-5-9-23(19)36(27,34)35/h2-14H,1H3,(H2,27,34,35)(H,28,29,30,33).
What are the key properties of 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide?
2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide has a molecular weight of 502.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoronaphthalen-2-yl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 21366554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).