1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C23H21FN6O — CID 42397555

IUPAC1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2cccnc2)cnn1-c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C23H21FN6O/c1-15(2)21-18(22(31)27-13-16-6-5-10-25-12-16)14-28-30(21)23-26-11-9-20(29-23)17-7-3-4-8-19(17)24/h3-12,14-15H,13H2,1-2H3,(H,27,31)
InChIKeyAYXHVXCSGBDJPA-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.92
Rot. Bonds6

About 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42397555) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42397555
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2cccnc2)cnn1-c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C23H21FN6O/c1-15(2)21-18(22(31)27-13-16-6-5-10-25-12-16)14-28-30(21)23-26-11-9-20(29-23)17-7-3-4-8-19(17)24/h3-12,14-15H,13H2,1-2H3,(H,27,31)
InChIKeyAYXHVXCSGBDJPA-UHFFFAOYSA-N
XLogP3.92
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.92
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-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 42397555) is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCc2cccnc2)cnn1-c1nccc(-c2ccccc2F)n1.
What is the InChIKey of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is AYXHVXCSGBDJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-15(2)21-18(22(31)27-13-16-6-5-10-25-12-16)14-28-30(21)23-26-11-9-20(29-23)17-7-3-4-8-19(17)24/h3-12,14-15H,13H2,1-2H3,(H,27,31).
What are the key properties of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.92, 6 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-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42397555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).