7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine

C26H26FN5O — CID 167085467

IUPAC7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine
SMILESCc1ccc([C@@H](C)Nc2nnc(C3CCOCC3)c3ccc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C26H26FN5O/c1-16-3-10-24(30-29-16)17(2)28-26-23-15-20(18-4-7-21(27)8-5-18)6-9-22(23)25(31-32-26)19-11-13-33-14-12-19/h3-10,15,17,19H,11-14H2,1-2H3,(H,28,32)/t17-/m1/s1
InChIKeyQCZFTOQIPIDXNJ-QGZVFWFLSA-N
MW443.53 g/mol
LogP5.60
Rot. Bonds5

About 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine

7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine (PubChem CID 167085467) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine
PubChem CID167085467
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine
SMILESCc1ccc([C@@H](C)Nc2nnc(C3CCOCC3)c3ccc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C26H26FN5O/c1-16-3-10-24(30-29-16)17(2)28-26-23-15-20(18-4-7-21(27)8-5-18)6-9-22(23)25(31-32-26)19-11-13-33-14-12-19/h3-10,15,17,19H,11-14H2,1-2H3,(H,28,32)/t17-/m1/s1
InChIKeyQCZFTOQIPIDXNJ-QGZVFWFLSA-N
XLogP5.60
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine?
The IUPAC name of 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine (CID 167085467) is 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine?
The canonical SMILES for 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine is Cc1ccc([C@@H](C)Nc2nnc(C3CCOCC3)c3ccc(-c4ccc(F)cc4)cc23)nn1.
What is the InChIKey of 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine?
The InChIKey is QCZFTOQIPIDXNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-16-3-10-24(30-29-16)17(2)28-26-23-15-20(18-4-7-21(27)8-5-18)6-9-22(23)25(31-32-26)19-11-13-33-14-12-19/h3-10,15,17,19H,11-14H2,1-2H3,(H,28,32)/t17-/m1/s1.
What are the key properties of 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine?
7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine has a molecular weight of 443.53 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-4-(oxan-4-yl)phthalazin-1-amine is sourced from PubChem (CID 167085467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).