N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H26N6O2 — CID 16734082

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)CC1
InChIInChI=1S/C25H26N6O2/c1-29-11-13-30(14-12-29)22-10-6-5-9-19(22)16-26-25(33)20-17-27-31-23(32)15-21(28-24(20)31)18-7-3-2-4-8-18/h2-10,15,17,27H,11-14,16H2,1H3,(H,26,33)
InChIKeySQNCFCRGYUAVAK-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.37
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16734082) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16734082
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)CC1
InChIInChI=1S/C25H26N6O2/c1-29-11-13-30(14-12-29)22-10-6-5-9-19(22)16-26-25(33)20-17-27-31-23(32)15-21(28-24(20)31)18-7-3-2-4-8-18/h2-10,15,17,27H,11-14,16H2,1H3,(H,26,33)
InChIKeySQNCFCRGYUAVAK-UHFFFAOYSA-N
XLogP2.37
TPSA85.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16734082) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SQNCFCRGYUAVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-29-11-13-30(14-12-29)22-10-6-5-9-19(22)16-26-25(33)20-17-27-31-23(32)15-21(28-24(20)31)18-7-3-2-4-8-18/h2-10,15,17,27H,11-14,16H2,1H3,(H,26,33).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16734082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).