6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one

C25H25F3N4O2S — CID 24759568

IUPAC6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCN(C)C1CCN(c2ccc(N3CCc4cc(-c5ccc(OC(F)(F)F)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C25H25F3N4O2S/c1-30(2)19-10-11-31(15-19)22-8-5-18(14-29-22)32-12-9-17-13-21(35-23(17)24(32)33)16-3-6-20(7-4-16)34-25(26,27)28/h3-8,13-14,19H,9-12,15H2,1-2H3
InChIKeyQLIPMWWXKWASHG-UHFFFAOYSA-N
MW502.56 g/mol
LogP5.05
Rot. Bonds5

About 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one

6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 24759568) has the molecular formula C25H25F3N4O2S and a molecular weight of 502.56 g/mol. Its IUPAC name is 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID24759568
Molecular FormulaC25H25F3N4O2S
Molecular Weight502.56 g/mol
Exact Mass502.17
IUPAC Name6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCN(C)C1CCN(c2ccc(N3CCc4cc(-c5ccc(OC(F)(F)F)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C25H25F3N4O2S/c1-30(2)19-10-11-31(15-19)22-8-5-18(14-29-22)32-12-9-17-13-21(35-23(17)24(32)33)16-3-6-20(7-4-16)34-25(26,27)28/h3-8,13-14,19H,9-12,15H2,1-2H3
InChIKeyQLIPMWWXKWASHG-UHFFFAOYSA-N
XLogP5.05
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.56
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-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

2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 66673532
2-(4-chlorophenyl)-6-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one;hydrochloride
CID 24759455
2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 24758106
2-(4-chlorophenyl)-5-[6-[(3R)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 163677993
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one
CID 73061109
2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one
CID 66673316
[2-methoxy-4-[2-(4-methoxyphenyl)-7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl]phenyl] trifluoromethanesulfonate
CID 86629206
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218
6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one
CID 11640865
2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one
CID 75110165
2-(2,4-difluorophenyl)-6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one;dihydrochloride
CID 24757974
6-(cyclopropylmethoxy)-2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-fluorophenyl]-3,4-dihydroisoquinolin-1-one
CID 24859712

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 24759568) is 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is CN(C)C1CCN(c2ccc(N3CCc4cc(-c5ccc(OC(F)(F)F)cc5)sc4C3=O)cn2)C1.
What is the InChIKey of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is QLIPMWWXKWASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2S/c1-30(2)19-10-11-31(15-19)22-8-5-18(14-29-22)32-12-9-17-13-21(35-23(17)24(32)33)16-3-6-20(7-4-16)34-25(26,27)28/h3-8,13-14,19H,9-12,15H2,1-2H3.
What are the key properties of 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 502.56 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 24759568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).