[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C23H24ClN5O — CID 134470802

IUPAC[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C23H24ClN5O/c24-17-9-7-16(8-10-17)21-18-4-1-2-5-19(18)22(27-26-21)28-12-14-29(15-13-28)23(30)20-6-3-11-25-20/h1-2,4-5,7-10,20,25H,3,6,11-15H2/t20-/m1/s1
InChIKeyFFXBFXAIJMSBJS-HXUWFJFHSA-N
MW421.93 g/mol
LogP3.35
Rot. Bonds3

About [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 134470802) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID134470802
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C23H24ClN5O/c24-17-9-7-16(8-10-17)21-18-4-1-2-5-19(18)22(27-26-21)28-12-14-29(15-13-28)23(30)20-6-3-11-25-20/h1-2,4-5,7-10,20,25H,3,6,11-15H2/t20-/m1/s1
InChIKeyFFXBFXAIJMSBJS-HXUWFJFHSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

(R)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 46891199
4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine
CID 1069155
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
CID 2952822
(S)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-2-methylpiperazin-1-yl)(phenyl)methanone
CID 46891165
1-(4-Chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6412221
(4-(4-(4-Chlorophenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46890992
(4-(4-(2-Chlorophenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891105
N-[1-[4-(2-chlorophenyl)phthalazin-1-yl]pyrrolidin-3-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 145960357
N-[1-[4-(4-chlorophenyl)phthalazin-1-yl]pyrrolidin-3-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 145962218
2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(2-chloro-6-methylphenyl)acetamide
CID 46853930
2-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 46856174
US10947241, Example 91
CID 134471025

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 134470802) is [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is FFXBFXAIJMSBJS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24ClN5O/c24-17-9-7-16(8-10-17)21-18-4-1-2-5-19(18)22(27-26-21)28-12-14-29(15-13-28)23(30)20-6-3-11-25-20/h1-2,4-5,7-10,20,25H,3,6,11-15H2/t20-/m1/s1.
What are the key properties of [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 421.93 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 134470802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).