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

C24H23FN6O — CID 145473968

IUPAC1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol
SMILESNc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4cc(O)ccc34)CC2)nc1
InChIInChI=1S/C24H23FN6O/c25-17-3-1-16(2-4-17)13-22-21-14-19(32)6-7-20(21)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
InChIKeyNOHYPVFEXNQKBM-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.37
Rot. Bonds4

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

1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol (PubChem CID 145473968) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol.

Molecular Properties

Compound Name1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol
PubChem CID145473968
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol
SMILESNc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4cc(O)ccc34)CC2)nc1
InChIInChI=1S/C24H23FN6O/c25-17-3-1-16(2-4-17)13-22-21-14-19(32)6-7-20(21)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
InChIKeyNOHYPVFEXNQKBM-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 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol?
The IUPAC name of 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol (CID 145473968) is 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol.
What is the SMILES notation for 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol?
The canonical SMILES for 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol is Nc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4cc(O)ccc34)CC2)nc1.
What is the InChIKey of 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol?
The InChIKey is NOHYPVFEXNQKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-17-3-1-16(2-4-17)13-22-21-14-19(32)6-7-20(21)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 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol?
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(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 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-4-[(4-fluorophenyl)methyl]phthalazin-6-ol is sourced from PubChem (CID 145473968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).