1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine

C24H22FN5 — CID 20875708

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
SMILESFc1ccccc1N1CCN(c2nnc(Cc3cccnc3)c3ccccc23)CC1
InChIInChI=1S/C24H22FN5/c25-21-9-3-4-10-23(21)29-12-14-30(15-13-29)24-20-8-2-1-7-19(20)22(27-28-24)16-18-6-5-11-26-17-18/h1-11,17H,12-16H2
InChIKeyOZSYGLIFWJKYNH-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.08
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine

1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine (PubChem CID 20875708) has the molecular formula C24H22FN5 and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
PubChem CID20875708
Molecular FormulaC24H22FN5
Molecular Weight399.47 g/mol
Exact Mass399.19
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine
SMILESFc1ccccc1N1CCN(c2nnc(Cc3cccnc3)c3ccccc23)CC1
InChIInChI=1S/C24H22FN5/c25-21-9-3-4-10-23(21)29-12-14-30(15-13-29)24-20-8-2-1-7-19(20)22(27-28-24)16-18-6-5-11-26-17-18/h1-11,17H,12-16H2
InChIKeyOZSYGLIFWJKYNH-UHFFFAOYSA-N
XLogP4.08
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine (CID 20875708) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine is Fc1ccccc1N1CCN(c2nnc(Cc3cccnc3)c3ccccc23)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine?
The InChIKey is OZSYGLIFWJKYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5/c25-21-9-3-4-10-23(21)29-12-14-30(15-13-29)24-20-8-2-1-7-19(20)22(27-28-24)16-18-6-5-11-26-17-18/h1-11,17H,12-16H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine?
1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine has a molecular weight of 399.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-(pyridin-3-ylmethyl)phthalazine is sourced from PubChem (CID 20875708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).