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

C25H25F3N4OS — CID 66674074

IUPAC6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCN(C)[C@H]1CCN(c2ccc(N3CCc4cc(-c5ccc(C(F)(F)F)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C25H25F3N4OS/c1-30(2)20-10-11-31(15-20)22-8-7-19(14-29-22)32-12-9-17-13-21(34-23(17)24(32)33)16-3-5-18(6-4-16)25(26,27)28/h3-8,13-14,20H,9-12,15H2,1-2H3/t20-/m0/s1
InChIKeyDJRHDVLZYVHCDL-FQEVSTJZSA-N
MW486.56 g/mol
LogP5.17
Rot. Bonds4

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

6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 66674074) has the molecular formula C25H25F3N4OS and a molecular weight of 486.56 g/mol. Its IUPAC name is 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID66674074
Molecular FormulaC25H25F3N4OS
Molecular Weight486.56 g/mol
Exact Mass486.17
IUPAC Name6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCN(C)[C@H]1CCN(c2ccc(N3CCc4cc(-c5ccc(C(F)(F)F)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C25H25F3N4OS/c1-30(2)20-10-11-31(15-20)22-8-7-19(14-29-22)32-12-9-17-13-21(34-23(17)24(32)33)16-3-5-18(6-4-16)25(26,27)28/h3-8,13-14,20H,9-12,15H2,1-2H3/t20-/m0/s1
InChIKeyDJRHDVLZYVHCDL-FQEVSTJZSA-N
XLogP5.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 66674074) is 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is CN(C)[C@H]1CCN(c2ccc(N3CCc4cc(-c5ccc(C(F)(F)F)cc5)sc4C3=O)cn2)C1.
What is the InChIKey of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is DJRHDVLZYVHCDL-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25F3N4OS/c1-30(2)20-10-11-31(15-20)22-8-7-19(14-29-22)32-12-9-17-13-21(34-23(17)24(32)33)16-3-5-18(6-4-16)25(26,27)28/h3-8,13-14,20H,9-12,15H2,1-2H3/t20-/m0/s1.
What are the key properties of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 486.56 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 66674074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).