1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide

C26H21FN6OS — CID 42357808

IUPAC1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCCc3ccncc3)c2-c2cccs2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H21FN6OS/c1-17-15-30-26(32-23(17)19-4-6-20(27)7-5-19)33-24(22-3-2-14-35-22)21(16-31-33)25(34)29-13-10-18-8-11-28-12-9-18/h2-9,11-12,14-16H,10,13H2,1H3,(H,29,34)
InChIKeyVIVVBARVKAFPED-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.87
Rot. Bonds7

About 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 42357808) has the molecular formula C26H21FN6OS and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID42357808
Molecular FormulaC26H21FN6OS
Molecular Weight484.56 g/mol
Exact Mass484.15
IUPAC Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCCc3ccncc3)c2-c2cccs2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H21FN6OS/c1-17-15-30-26(32-23(17)19-4-6-20(27)7-5-19)33-24(22-3-2-14-35-22)21(16-31-33)25(34)29-13-10-18-8-11-28-12-9-18/h2-9,11-12,14-16H,10,13H2,1H3,(H,29,34)
InChIKeyVIVVBARVKAFPED-UHFFFAOYSA-N
XLogP4.87
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide (CID 42357808) is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)NCCc3ccncc3)c2-c2cccs2)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is VIVVBARVKAFPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6OS/c1-17-15-30-26(32-23(17)19-4-6-20(27)7-5-19)33-24(22-3-2-14-35-22)21(16-31-33)25(34)29-13-10-18-8-11-28-12-9-18/h2-9,11-12,14-16H,10,13H2,1H3,(H,29,34).
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide?
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-pyridin-4-ylethyl)-5-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42357808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).