4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C23H21N7 — CID 3431450

IUPAC4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESc1ccc(N2CCN(c3cc(-c4cccnc4)nc(-c4ccncc4)n3)CC2)nc1
InChIInChI=1S/C23H21N7/c1-2-9-26-21(5-1)29-12-14-30(15-13-29)22-16-20(19-4-3-8-25-17-19)27-23(28-22)18-6-10-24-11-7-18/h1-11,16-17H,12-15H2
InChIKeyDOCAOPGNLUXIRL-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.32
Rot. Bonds4

About 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 3431450) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID3431450
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESc1ccc(N2CCN(c3cc(-c4cccnc4)nc(-c4ccncc4)n3)CC2)nc1
InChIInChI=1S/C23H21N7/c1-2-9-26-21(5-1)29-12-14-30(15-13-29)22-16-20(19-4-3-8-25-17-19)27-23(28-22)18-6-10-24-11-7-18/h1-11,16-17H,12-15H2
InChIKeyDOCAOPGNLUXIRL-UHFFFAOYSA-N
XLogP3.32
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 3431450) is 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is c1ccc(N2CCN(c3cc(-c4cccnc4)nc(-c4ccncc4)n3)CC2)nc1.
What is the InChIKey of 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is DOCAOPGNLUXIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-2-9-26-21(5-1)29-12-14-30(15-13-29)22-16-20(19-4-3-8-25-17-19)27-23(28-22)18-6-10-24-11-7-18/h1-11,16-17H,12-15H2.
What are the key properties of 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 395.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3431450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).