2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one

C22H19N3OS — CID 42890741

IUPAC2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CN1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C22H19N3OS/c26-22-18-9-5-4-8-17(18)14-23-25(22)15-24-12-10-20-19(11-13-27-20)21(24)16-6-2-1-3-7-16/h1-9,11,13-14,21H,10,12,15H2
InChIKeyJHKMDSWKQAFUOL-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.06
Rot. Bonds3

About 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one

2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one (PubChem CID 42890741) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
PubChem CID42890741
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CN1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C22H19N3OS/c26-22-18-9-5-4-8-17(18)14-23-25(22)15-24-12-10-20-19(11-13-27-20)21(24)16-6-2-1-3-7-16/h1-9,11,13-14,21H,10,12,15H2
InChIKeyJHKMDSWKQAFUOL-UHFFFAOYSA-N
XLogP4.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one with MolForge

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Related Compounds

2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
CID 42889483
2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one
CID 60526741
2-[(2-benzylpiperidin-1-yl)methyl]phthalazin-1-one
CID 47092277
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
CID 35869698
5-cyclopropyl-4-ethyl-2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-triazole-3-thione
CID 18096421
(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione
CID 124838181
5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
CID 31429387
N-[(2-methylphenyl)methyl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46564008
N-(furan-2-ylmethyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 41014272
2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51244387
1-oxo-3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 43064482

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one?
The IUPAC name of 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one (CID 42890741) is 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one.
What is the SMILES notation for 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one?
The canonical SMILES for 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one is O=c1c2ccccc2cnn1CN1CCc2sccc2C1c1ccccc1.
What is the InChIKey of 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one?
The InChIKey is JHKMDSWKQAFUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c26-22-18-9-5-4-8-17(18)14-23-25(22)15-24-12-10-20-19(11-13-27-20)21(24)16-6-2-1-3-7-16/h1-9,11,13-14,21H,10,12,15H2.
What are the key properties of 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one?
2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one has a molecular weight of 373.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one is sourced from PubChem (CID 42890741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).