6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one

C24H22F3N5OS — CID 73061109

IUPAC6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one
SMILESCN(C)C1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1
InChIInChI=1S/C24H22F3N5OS/c1-30(2)19-9-10-31(14-19)21-8-7-18(13-28-21)32-23(33)22-16(12-29-32)11-20(34-22)15-3-5-17(6-4-15)24(25,26)27/h3-8,11-13,19H,9-10,14H2,1-2H3
InChIKeyZJHQVUWPGYYYDW-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.67
Rot. Bonds4

About 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one

6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one (PubChem CID 73061109) has the molecular formula C24H22F3N5OS and a molecular weight of 485.54 g/mol. Its IUPAC name is 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one
PubChem CID73061109
Molecular FormulaC24H22F3N5OS
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one
SMILESCN(C)C1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1
InChIInChI=1S/C24H22F3N5OS/c1-30(2)19-9-10-31(14-19)21-8-7-18(13-28-21)32-23(33)22-16(12-29-32)11-20(34-22)15-3-5-17(6-4-15)24(25,26)27/h3-8,11-13,19H,9-10,14H2,1-2H3
InChIKeyZJHQVUWPGYYYDW-UHFFFAOYSA-N
XLogP4.67
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one
CID 66673316
6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one
CID 11640865
2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride
CID 24757974
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 24759568
6-[(3-hydroxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one
CID 68711194
N-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]quinoxalin-6-yl]-4-[3-(trifluoromethyl)phenyl]benzamide
CID 66551224
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one
CID 146172542
2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one
CID 11666508
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one?
The IUPAC name of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one (CID 73061109) is 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one is CN(C)C1CCN(c2ccc(-n3ncc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1.
What is the InChIKey of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one?
The InChIKey is ZJHQVUWPGYYYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5OS/c1-30(2)19-9-10-31(14-19)21-8-7-18(13-28-21)32-23(33)22-16(12-29-32)11-20(34-22)15-3-5-17(6-4-15)24(25,26)27/h3-8,11-13,19H,9-10,14H2,1-2H3.
What are the key properties of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one?
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one has a molecular weight of 485.54 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 73061109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).