2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride

C24H24Cl2F2N4OS — CID 24757974

IUPAC2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride
SMILESCN(C)C1CCN(c2ccc(-n3ccc4cc(-c5ccc(F)cc5F)sc4c3=O)cn2)C1.Cl.Cl
InChIInChI=1S/C24H22F2N4OS.2ClH/c1-28(2)18-8-9-29(14-18)22-6-4-17(13-27-22)30-10-7-15-11-21(32-23(15)24(30)31)19-5-3-16(25)12-20(19)26;;/h3-7,10-13,18H,8-9,14H2,1-2H3;2*1H
InChIKeyVQOZOCOLJIMLED-UHFFFAOYSA-N
MW525.45 g/mol
LogP5.38
Rot. Bonds4

About 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride

2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride (PubChem CID 24757974) has the molecular formula C24H24Cl2F2N4OS and a molecular weight of 525.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride
PubChem CID24757974
Molecular FormulaC24H24Cl2F2N4OS
Molecular Weight525.45 g/mol
Exact Mass524.10
IUPAC Name2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride
SMILESCN(C)C1CCN(c2ccc(-n3ccc4cc(-c5ccc(F)cc5F)sc4c3=O)cn2)C1.Cl.Cl
InChIInChI=1S/C24H22F2N4OS.2ClH/c1-28(2)18-8-9-29(14-18)22-6-4-17(13-27-22)30-10-7-15-11-21(32-23(15)24(30)31)19-5-3-16(25)12-20(19)26;;/h3-7,10-13,18H,8-9,14H2,1-2H3;2*1H
InChIKeyVQOZOCOLJIMLED-UHFFFAOYSA-N
XLogP5.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one
CID 73061109
6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one
CID 11640865
1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 67508116
2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
CID 67164499
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
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-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1H-benzimidazol-2-one
CID 146172542
N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 42642006
N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91166814
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660
N-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanesulfonamide
CID 166603265

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride (CID 24757974) is 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride is CN(C)C1CCN(c2ccc(-n3ccc4cc(-c5ccc(F)cc5F)sc4c3=O)cn2)C1.Cl.Cl.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride?
The InChIKey is VQOZOCOLJIMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4OS.2ClH/c1-28(2)18-8-9-29(14-18)22-6-4-17(13-27-22)30-10-7-15-11-21(32-23(15)24(30)31)19-5-3-16(25)12-20(19)26;;/h3-7,10-13,18H,8-9,14H2,1-2H3;2*1H.
What are the key properties of 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride?
2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride has a molecular weight of 525.45 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride is sourced from PubChem (CID 24757974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).