1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine

C19H17Cl2N5 — CID 126469462

IUPAC1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine
SMILESClc1cncc(Cl)c1N1CCN(c2ccc(-c3cccnc3)cn2)CC1
InChIInChI=1S/C19H17Cl2N5/c20-16-12-23-13-17(21)19(16)26-8-6-25(7-9-26)18-4-3-15(11-24-18)14-2-1-5-22-10-14/h1-5,10-13H,6-9H2
InChIKeyOVQRTPZYONAVAM-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.17
Rot. Bonds3

About 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine

1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine (PubChem CID 126469462) has the molecular formula C19H17Cl2N5 and a molecular weight of 386.29 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine
PubChem CID126469462
Molecular FormulaC19H17Cl2N5
Molecular Weight386.29 g/mol
Exact Mass385.09
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine
SMILESClc1cncc(Cl)c1N1CCN(c2ccc(-c3cccnc3)cn2)CC1
InChIInChI=1S/C19H17Cl2N5/c20-16-12-23-13-17(21)19(16)26-8-6-25(7-9-26)18-4-3-15(11-24-18)14-2-1-5-22-10-14/h1-5,10-13H,6-9H2
InChIKeyOVQRTPZYONAVAM-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine (CID 126469462) is 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine is Clc1cncc(Cl)c1N1CCN(c2ccc(-c3cccnc3)cn2)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine?
The InChIKey is OVQRTPZYONAVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5/c20-16-12-23-13-17(21)19(16)26-8-6-25(7-9-26)18-4-3-15(11-24-18)14-2-1-5-22-10-14/h1-5,10-13H,6-9H2.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine?
1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine has a molecular weight of 386.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 126469462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).