4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide

C28H33N5O3 — CID 53023133

IUPAC4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C28H33N5O3/c1-36-24-11-9-22(10-12-24)25-19-26-32(27(34)13-17-33(26)30-25)20-21-5-7-23(8-6-21)28(35)29-14-18-31-15-3-2-4-16-31/h5-12,19H,2-4,13-18,20H2,1H3,(H,29,35)
InChIKeyJLECTIZHEGSTBQ-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.71
Rot. Bonds8

About 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide

4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 53023133) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID53023133
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C28H33N5O3/c1-36-24-11-9-22(10-12-24)25-19-26-32(27(34)13-17-33(26)30-25)20-21-5-7-23(8-6-21)28(35)29-14-18-31-15-3-2-4-16-31/h5-12,19H,2-4,13-18,20H2,1H3,(H,29,35)
InChIKeyJLECTIZHEGSTBQ-UHFFFAOYSA-N
XLogP3.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide (CID 53023133) is 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide is COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is JLECTIZHEGSTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-36-24-11-9-22(10-12-24)25-19-26-32(27(34)13-17-33(26)30-25)20-21-5-7-23(8-6-21)28(35)29-14-18-31-15-3-2-4-16-31/h5-12,19H,2-4,13-18,20H2,1H3,(H,29,35).
What are the key properties of 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide?
4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 487.60 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 53023133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).