6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one

C25H24ClN5O — CID 11640865

IUPAC6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one
SMILESCN(C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1
InChIInChI=1S/C25H24ClN5O/c1-29(2)22-11-12-30(16-22)24-10-8-21(15-27-24)31-25(32)23-9-5-18(13-19(23)14-28-31)17-3-6-20(26)7-4-17/h3-10,13-15,22H,11-12,16H2,1-2H3/t22-/m0/s1
InChIKeyLQVKFCWAMKNRJH-QFIPXVFZSA-N
MW445.95 g/mol
LogP4.24
Rot. Bonds4

About 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one

6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one (PubChem CID 11640865) has the molecular formula C25H24ClN5O and a molecular weight of 445.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one
PubChem CID11640865
Molecular FormulaC25H24ClN5O
Molecular Weight445.95 g/mol
Exact Mass445.17
IUPAC Name6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one
SMILESCN(C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1
InChIInChI=1S/C25H24ClN5O/c1-29(2)22-11-12-30(16-22)24-10-8-21(15-27-24)31-25(32)23-9-5-18(13-19(23)14-28-31)17-3-6-20(26)7-4-17/h3-10,13-15,22H,11-12,16H2,1-2H3/t22-/m0/s1
InChIKeyLQVKFCWAMKNRJH-QFIPXVFZSA-N
XLogP4.24
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one
CID 73061109
3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one
CID 146172542
6-(4-chlorophenyl)-3-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 90985829
2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one
CID 66673316
3-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-7-(4-methylphenyl)chromen-4-one;N,N-dimethylpropan-2-amine;ethane
CID 143127010
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 67508116
2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride
CID 24757974
6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45279869
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 24759568
3-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-7-methoxychromen-4-one;ethane;2-methylbut-2-ene
CID 143127003

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one (CID 11640865) is 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one is CN(C)[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one?
The InChIKey is LQVKFCWAMKNRJH-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24ClN5O/c1-29(2)22-11-12-30(16-22)24-10-8-21(15-27-24)31-25(32)23-9-5-18(13-19(23)14-28-31)17-3-6-20(26)7-4-17/h3-10,13-15,22H,11-12,16H2,1-2H3/t22-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one?
6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one has a molecular weight of 445.95 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one is sourced from PubChem (CID 11640865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).