4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol

C24H23FN6O — CID 145473913

IUPAC4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol
SMILESNc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccc(O)cc34)CC2)nc1
InChIInChI=1S/C24H23FN6O/c25-17-3-1-16(2-4-17)13-22-20-7-6-19(32)14-21(20)24(29-28-22)31-11-9-30(10-12-31)23-8-5-18(26)15-27-23/h1-8,14-15,32H,9-13,26H2
InChIKeyHMHOWCDNDJPTFX-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.37
Rot. Bonds4

About 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol

4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol (PubChem CID 145473913) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol.

Molecular Properties

Compound Name4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol
PubChem CID145473913
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol
SMILESNc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccc(O)cc34)CC2)nc1
InChIInChI=1S/C24H23FN6O/c25-17-3-1-16(2-4-17)13-22-20-7-6-19(32)14-21(20)24(29-28-22)31-11-9-30(10-12-31)23-8-5-18(26)15-27-23/h1-8,14-15,32H,9-13,26H2
InChIKeyHMHOWCDNDJPTFX-UHFFFAOYSA-N
XLogP3.37
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol?
The IUPAC name of 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol (CID 145473913) is 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol.
What is the SMILES notation for 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol?
The canonical SMILES for 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol is Nc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccc(O)cc34)CC2)nc1.
What is the InChIKey of 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol?
The InChIKey is HMHOWCDNDJPTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-17-3-1-16(2-4-17)13-22-20-7-6-19(32)14-21(20)24(29-28-22)31-11-9-30(10-12-31)23-8-5-18(26)15-27-23/h1-8,14-15,32H,9-13,26H2.
What are the key properties of 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol?
4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol has a molecular weight of 430.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]phthalazin-6-ol is sourced from PubChem (CID 145473913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).