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

C22H19FN6O — CID 42326458

IUPAC1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C)n1
InChIInChI=1S/C22H19FN6O/c1-14-6-5-7-16(27-14)12-25-21(30)18-13-26-29(15(18)2)22-24-11-10-20(28-22)17-8-3-4-9-19(17)23/h3-11,13H,12H2,1-2H3,(H,25,30)
InChIKeyACTKJTNITYZMID-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.41
Rot. Bonds5

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

1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 42326458) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID42326458
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C)n1
InChIInChI=1S/C22H19FN6O/c1-14-6-5-7-16(27-14)12-25-21(30)18-13-26-29(15(18)2)22-24-11-10-20(28-22)17-8-3-4-9-19(17)23/h3-11,13H,12H2,1-2H3,(H,25,30)
InChIKeyACTKJTNITYZMID-UHFFFAOYSA-N
XLogP3.41
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide (CID 42326458) is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C)n1.
What is the InChIKey of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is ACTKJTNITYZMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c1-14-6-5-7-16(27-14)12-25-21(30)18-13-26-29(15(18)2)22-24-11-10-20(28-22)17-8-3-4-9-19(17)23/h3-11,13H,12H2,1-2H3,(H,25,30).
What are the key properties of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide?
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42326458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).