2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C25H25N7O2 — CID 137049047

IUPAC2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2Cc2ccccc2)n1
InChIInChI=1S/C25H25N7O2/c1-18-15-23(33)29-25(28-18)32-21(16-19-7-3-2-4-8-19)20(17-27-32)24(34)31-13-11-30(12-14-31)22-9-5-6-10-26-22/h2-10,15,17H,11-14,16H2,1H3,(H,28,29,33)
InChIKeyGCESFLDXEPNXOO-UHFFFAOYSA-N
MW455.52 g/mol
LogP2.21
Rot. Bonds5

About 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137049047) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137049047
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2Cc2ccccc2)n1
InChIInChI=1S/C25H25N7O2/c1-18-15-23(33)29-25(28-18)32-21(16-19-7-3-2-4-8-19)20(17-27-32)24(34)31-13-11-30(12-14-31)22-9-5-6-10-26-22/h2-10,15,17H,11-14,16H2,1H3,(H,28,29,33)
InChIKeyGCESFLDXEPNXOO-UHFFFAOYSA-N
XLogP2.21
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137049047) is 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2Cc2ccccc2)n1.
What is the InChIKey of 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GCESFLDXEPNXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-18-15-23(33)29-25(28-18)32-21(16-19-7-3-2-4-8-19)20(17-27-32)24(34)31-13-11-30(12-14-31)22-9-5-6-10-26-22/h2-10,15,17H,11-14,16H2,1H3,(H,28,29,33).
What are the key properties of 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 455.52 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137049047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).