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

C24H25FN4OS — CID 66673689

IUPAC6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCN(C)[C@H]1CCN(c2ccc(N3CCc4cc(-c5ccc(F)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C24H25FN4OS/c1-27(2)20-10-11-28(15-20)22-8-7-19(14-26-22)29-12-9-17-13-21(31-23(17)24(29)30)16-3-5-18(25)6-4-16/h3-8,13-14,20H,9-12,15H2,1-2H3/t20-/m0/s1
InChIKeyLCSGYMFMNSYDDP-FQEVSTJZSA-N
MW436.56 g/mol
LogP4.29
Rot. Bonds4

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

6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 66673689) has the molecular formula C24H25FN4OS and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID66673689
Molecular FormulaC24H25FN4OS
Molecular Weight436.56 g/mol
Exact Mass436.17
IUPAC Name6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCN(C)[C@H]1CCN(c2ccc(N3CCc4cc(-c5ccc(F)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C24H25FN4OS/c1-27(2)20-10-11-28(15-20)22-8-7-19(14-26-22)29-12-9-17-13-21(31-23(17)24(29)30)16-3-5-18(25)6-4-16/h3-8,13-14,20H,9-12,15H2,1-2H3/t20-/m0/s1
InChIKeyLCSGYMFMNSYDDP-FQEVSTJZSA-N
XLogP4.29
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-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-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 66673689) is 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one is CN(C)[C@H]1CCN(c2ccc(N3CCc4cc(-c5ccc(F)cc5)sc4C3=O)cn2)C1.
What is the InChIKey of 6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is LCSGYMFMNSYDDP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25FN4OS/c1-27(2)20-10-11-28(15-20)22-8-7-19(14-26-22)29-12-9-17-13-21(31-23(17)24(29)30)16-3-5-18(25)6-4-16/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-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one?
6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 436.56 g/mol, XLogP of 4.29, 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-fluorophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 66673689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).