(4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C20H19N5O — CID 15950862

IUPAC(4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccn2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H19N5O/c26-19(17-7-5-16(6-8-17)18-4-1-2-9-21-18)24-12-14-25(15-13-24)20-22-10-3-11-23-20/h1-11H,12-15H2
InChIKeyFVAAYPBSCWBSGB-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.50
Rot. Bonds3

About (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 15950862) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID15950862
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name(4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccn2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H19N5O/c26-19(17-7-5-16(6-8-17)18-4-1-2-9-21-18)24-12-14-25(15-13-24)20-22-10-3-11-23-20/h1-11H,12-15H2
InChIKeyFVAAYPBSCWBSGB-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 15950862) is (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccn2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FVAAYPBSCWBSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-19(17-7-5-16(6-8-17)18-4-1-2-9-21-18)24-12-14-25(15-13-24)20-22-10-3-11-23-20/h1-11H,12-15H2.
What are the key properties of (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 345.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 15950862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).