N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide

C26H27N5O2 — CID 134307222

IUPACN-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C26H27N5O2/c1-17-22(19-11-13-21(14-12-19)28-18(2)32)26(33)31-25(27-17)24(30-15-7-4-8-16-30)23(29-31)20-9-5-3-6-10-20/h3,5-6,9-14,29H,4,7-8,15-16H2,1-2H3,(H,28,32)
InChIKeyILBSNPCIEMJXIZ-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.61
Rot. Bonds4

About N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide

N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 134307222) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide
PubChem CID134307222
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C26H27N5O2/c1-17-22(19-11-13-21(14-12-19)28-18(2)32)26(33)31-25(27-17)24(30-15-7-4-8-16-30)23(29-31)20-9-5-3-6-10-20/h3,5-6,9-14,29H,4,7-8,15-16H2,1-2H3,(H,28,32)
InChIKeyILBSNPCIEMJXIZ-UHFFFAOYSA-N
XLogP4.61
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide (CID 134307222) is N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is ILBSNPCIEMJXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17-22(19-11-13-21(14-12-19)28-18(2)32)26(33)31-25(27-17)24(30-15-7-4-8-16-30)23(29-31)20-9-5-3-6-10-20/h3,5-6,9-14,29H,4,7-8,15-16H2,1-2H3,(H,28,32).
What are the key properties of N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide?
N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 441.54 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-7-oxo-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 134307222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).