4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide

C22H22ClN5O — CID 42690921

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
SMILESO=C(NC1CC1)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc12
InChIInChI=1S/C22H22ClN5O/c23-15-4-3-5-17(14-15)27-10-12-28(13-11-27)21-19-7-2-1-6-18(19)20(25-26-21)22(29)24-16-8-9-16/h1-7,14,16H,8-13H2,(H,24,29)
InChIKeyVEUWRTKQUVCNES-UHFFFAOYSA-N
MW407.91 g/mol
LogP3.50
Rot. Bonds4

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide (PubChem CID 42690921) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
PubChem CID42690921
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
SMILESO=C(NC1CC1)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc12
InChIInChI=1S/C22H22ClN5O/c23-15-4-3-5-17(14-15)27-10-12-28(13-11-27)21-19-7-2-1-6-18(19)20(25-26-21)22(29)24-16-8-9-16/h1-7,14,16H,8-13H2,(H,24,29)
InChIKeyVEUWRTKQUVCNES-UHFFFAOYSA-N
XLogP3.50
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691033
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 42690916
N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690640
N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide
CID 42878324
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]phthalazine-1-carboxamide
CID 93009657
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341438
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide
CID 46037111
2-(3-chlorophenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 4963637
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide (CID 42690921) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide is O=C(NC1CC1)c1nnc(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc12.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide?
The InChIKey is VEUWRTKQUVCNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c23-15-4-3-5-17(14-15)27-10-12-28(13-11-27)21-19-7-2-1-6-18(19)20(25-26-21)22(29)24-16-8-9-16/h1-7,14,16H,8-13H2,(H,24,29).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide?
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide has a molecular weight of 407.91 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide is sourced from PubChem (CID 42690921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).