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

C22H25FN4O — CID 155528145

IUPAC2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCc1cc(C)n2nc(NC(=O)CC3CCCC3)c(-c3ccc(F)c(C)c3)c2n1
InChIInChI=1S/C22H25FN4O/c1-13-10-17(8-9-18(13)23)20-21(25-19(28)12-16-6-4-5-7-16)26-27-15(3)11-14(2)24-22(20)27/h8-11,16H,4-7,12H2,1-3H3,(H,25,26,28)
InChIKeyJJTLUTXAPBEQGL-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.98
Rot. Bonds4

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

2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 155528145) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID155528145
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCc1cc(C)n2nc(NC(=O)CC3CCCC3)c(-c3ccc(F)c(C)c3)c2n1
InChIInChI=1S/C22H25FN4O/c1-13-10-17(8-9-18(13)23)20-21(25-19(28)12-16-6-4-5-7-16)26-27-15(3)11-14(2)24-22(20)27/h8-11,16H,4-7,12H2,1-3H3,(H,25,26,28)
InChIKeyJJTLUTXAPBEQGL-UHFFFAOYSA-N
XLogP4.98
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 155528145) is 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide is Cc1cc(C)n2nc(NC(=O)CC3CCCC3)c(-c3ccc(F)c(C)c3)c2n1.
What is the InChIKey of 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is JJTLUTXAPBEQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-13-10-17(8-9-18(13)23)20-21(25-19(28)12-16-6-4-5-7-16)26-27-15(3)11-14(2)24-22(20)27/h8-11,16H,4-7,12H2,1-3H3,(H,25,26,28).
What are the key properties of 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 155528145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).