1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide

C23H21FN6O — CID 42359295

IUPAC1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cnn(-c3ncc(C)c(-c4ccc(F)cc4)n3)c2C)n1
InChIInChI=1S/C23H21FN6O/c1-14-11-26-23(29-21(14)17-7-9-18(24)10-8-17)30-16(3)20(13-27-30)22(31)25-12-19-6-4-5-15(2)28-19/h4-11,13H,12H2,1-3H3,(H,25,31)
InChIKeyNDINEHOZBXBVCE-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.72
Rot. Bonds5

About 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 42359295) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID42359295
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cnn(-c3ncc(C)c(-c4ccc(F)cc4)n3)c2C)n1
InChIInChI=1S/C23H21FN6O/c1-14-11-26-23(29-21(14)17-7-9-18(24)10-8-17)30-16(3)20(13-27-30)22(31)25-12-19-6-4-5-15(2)28-19/h4-11,13H,12H2,1-3H3,(H,25,31)
InChIKeyNDINEHOZBXBVCE-UHFFFAOYSA-N
XLogP3.72
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide (CID 42359295) is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1cccc(CNC(=O)c2cnn(-c3ncc(C)c(-c4ccc(F)cc4)n3)c2C)n1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NDINEHOZBXBVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-14-11-26-23(29-21(14)17-7-9-18(24)10-8-17)30-16(3)20(13-27-30)22(31)25-12-19-6-4-5-15(2)28-19/h4-11,13H,12H2,1-3H3,(H,25,31).
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42359295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).