N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide

C22H17FN4O2 — CID 44452706

IUPACN-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=C(C=C4)F
InChIInChI=1S/C22H17FN4O2/c1-14(28)26(2)18-5-3-4-16(12-18)20-10-11-24-22-19(13-25-27(20)22)21(29)15-6-8-17(23)9-7-15/h3-13H,1-2H3
InChIKeyJVKNENSSPSXREL-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.40
Rot. Bonds4

About N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide

N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide (PubChem CID 44452706) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide
PubChem CID44452706
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=C(C=C4)F
InChIInChI=1S/C22H17FN4O2/c1-14(28)26(2)18-5-3-4-16(12-18)20-10-11-24-22-19(13-25-27(20)22)21(29)15-6-8-17(23)9-7-15/h3-13H,1-2H3
InChIKeyJVKNENSSPSXREL-UHFFFAOYSA-N
XLogP2.40
TPSA67.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity610

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide (CID 44452706) is N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide is CC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=C(C=C4)F.
What is the InChIKey of N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide?
The InChIKey is JVKNENSSPSXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-14(28)26(2)18-5-3-4-16(12-18)20-10-11-24-22-19(13-25-27(20)22)21(29)15-6-8-17(23)9-7-15/h3-13H,1-2H3.
What are the key properties of N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide?
N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide has a molecular weight of 388.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 44452706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).