4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide

C26H24FN5O2 — CID 42690680

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide
SMILESCOc1cccc(NC(=O)c2nnc(N3CCN(c4ccccc4F)CC3)c3ccccc23)c1
InChIInChI=1S/C26H24FN5O2/c1-34-19-8-6-7-18(17-19)28-26(33)24-20-9-2-3-10-21(20)25(30-29-24)32-15-13-31(14-16-32)23-12-5-4-11-22(23)27/h2-12,17H,13-16H2,1H3,(H,28,33)
InChIKeyWGKLMQCDMRDRTI-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.36
Rot. Bonds5

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide

4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide (PubChem CID 42690680) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide
PubChem CID42690680
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide
SMILESCOc1cccc(NC(=O)c2nnc(N3CCN(c4ccccc4F)CC3)c3ccccc23)c1
InChIInChI=1S/C26H24FN5O2/c1-34-19-8-6-7-18(17-19)28-26(33)24-20-9-2-3-10-21(20)25(30-29-24)32-15-13-31(14-16-32)23-12-5-4-11-22(23)27/h2-12,17H,13-16H2,1H3,(H,28,33)
InChIKeyWGKLMQCDMRDRTI-UHFFFAOYSA-N
XLogP4.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide (CID 42690680) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide is COc1cccc(NC(=O)c2nnc(N3CCN(c4ccccc4F)CC3)c3ccccc23)c1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide?
The InChIKey is WGKLMQCDMRDRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-34-19-8-6-7-18(17-19)28-26(33)24-20-9-2-3-10-21(20)25(30-29-24)32-15-13-31(14-16-32)23-12-5-4-11-22(23)27/h2-12,17H,13-16H2,1H3,(H,28,33).
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide?
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 42690680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).