[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C24H25N5O2 — CID 135300345

IUPAC[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3cccn3C)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H25N5O2/c1-27-12-6-7-21(27)22-15-19(17-8-10-18(31-2)11-9-17)25-23-16-20(26-29(22)23)24(30)28-13-4-3-5-14-28/h6-12,15-16H,3-5,13-14H2,1-2H3
InChIKeyLYYUFTKSDBFVIU-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.04
Rot. Bonds4

About [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 135300345) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID135300345
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3cccn3C)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H25N5O2/c1-27-12-6-7-21(27)22-15-19(17-8-10-18(31-2)11-9-17)25-23-16-20(26-29(22)23)24(30)28-13-4-3-5-14-28/h6-12,15-16H,3-5,13-14H2,1-2H3
InChIKeyLYYUFTKSDBFVIU-UHFFFAOYSA-N
XLogP4.04
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 135300345) is [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(-c3cccn3C)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is LYYUFTKSDBFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-27-12-6-7-21(27)22-15-19(17-8-10-18(31-2)11-9-17)25-23-16-20(26-29(22)23)24(30)28-13-4-3-5-14-28/h6-12,15-16H,3-5,13-14H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 415.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).