1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

C24H23FN6O — CID 42325240

IUPAC1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCc3ccncc3)c2C(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H23FN6O/c1-15(2)22-20(23(32)27-13-17-8-10-26-11-9-17)14-29-31(22)24-28-12-16(3)21(30-24)18-4-6-19(25)7-5-18/h4-12,14-15H,13H2,1-3H3,(H,27,32)
InChIKeyZKVSGKCINYGATG-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.23
Rot. Bonds6

About 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42325240) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID42325240
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCc3ccncc3)c2C(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H23FN6O/c1-15(2)22-20(23(32)27-13-17-8-10-26-11-9-17)14-29-31(22)24-28-12-16(3)21(30-24)18-4-6-19(25)7-5-18/h4-12,14-15H,13H2,1-3H3,(H,27,32)
InChIKeyZKVSGKCINYGATG-UHFFFAOYSA-N
XLogP4.23
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.23
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-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (CID 42325240) is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)NCc3ccncc3)c2C(C)C)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ZKVSGKCINYGATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-15(2)22-20(23(32)27-13-17-8-10-26-11-9-17)14-29-31(22)24-28-12-16(3)21(30-24)18-4-6-19(25)7-5-18/h4-12,14-15H,13H2,1-3H3,(H,27,32).
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.23, 6 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-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42325240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).