2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide

C21H16F3N5O2 — CID 138557396

IUPAC2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1CC(=O)Nc1ccncc1
InChIInChI=1S/C21H16F3N5O2/c1-12-15(11-16(30)27-14-7-9-25-10-8-14)20(31)29-19(26-12)17(13-5-3-2-4-6-13)18(28-29)21(22,23)24/h2-10,28H,11H2,1H3,(H,25,27,30)
InChIKeyOOGXIOQHALZZQJ-UHFFFAOYSA-N
MW427.39 g/mol
LogP3.59
Rot. Bonds4

About 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide

2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide (PubChem CID 138557396) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide
PubChem CID138557396
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1CC(=O)Nc1ccncc1
InChIInChI=1S/C21H16F3N5O2/c1-12-15(11-16(30)27-14-7-9-25-10-8-14)20(31)29-19(26-12)17(13-5-3-2-4-6-13)18(28-29)21(22,23)24/h2-10,28H,11H2,1H3,(H,25,27,30)
InChIKeyOOGXIOQHALZZQJ-UHFFFAOYSA-N
XLogP3.59
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide (CID 138557396) is 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide is Cc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1CC(=O)Nc1ccncc1.
What is the InChIKey of 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide?
The InChIKey is OOGXIOQHALZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-12-15(11-16(30)27-14-7-9-25-10-8-14)20(31)29-19(26-12)17(13-5-3-2-4-6-13)18(28-29)21(22,23)24/h2-10,28H,11H2,1H3,(H,25,27,30).
What are the key properties of 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide?
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide has a molecular weight of 427.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 138557396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).