3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide

C23H27FN4O — CID 155565753

IUPAC3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCc1cc(C)n2nc(NC(=O)CCC3CCCC3)c(-c3ccc(F)c(C)c3)c2n1
InChIInChI=1S/C23H27FN4O/c1-14-12-18(9-10-19(14)24)21-22(26-20(29)11-8-17-6-4-5-7-17)27-28-16(3)13-15(2)25-23(21)28/h9-10,12-13,17H,4-8,11H2,1-3H3,(H,26,27,29)
InChIKeyTXBDGPGUAURVFE-UHFFFAOYSA-N
MW394.49 g/mol
LogP5.37
Rot. Bonds5

About 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide

3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 155565753) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID155565753
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCc1cc(C)n2nc(NC(=O)CCC3CCCC3)c(-c3ccc(F)c(C)c3)c2n1
InChIInChI=1S/C23H27FN4O/c1-14-12-18(9-10-19(14)24)21-22(26-20(29)11-8-17-6-4-5-7-17)27-28-16(3)13-15(2)25-23(21)28/h9-10,12-13,17H,4-8,11H2,1-3H3,(H,26,27,29)
InChIKeyTXBDGPGUAURVFE-UHFFFAOYSA-N
XLogP5.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 155565753) is 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide is Cc1cc(C)n2nc(NC(=O)CCC3CCCC3)c(-c3ccc(F)c(C)c3)c2n1.
What is the InChIKey of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is TXBDGPGUAURVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-14-12-18(9-10-19(14)24)21-22(26-20(29)11-8-17-6-4-5-7-17)27-28-16(3)13-15(2)25-23(21)28/h9-10,12-13,17H,4-8,11H2,1-3H3,(H,26,27,29).
What are the key properties of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 394.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 155565753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).