6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one

C24H21F3N4OS — CID 44592214

IUPAC6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one
SMILESCN[C@@H]1CCN(c2ccc(-n3ccc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1
InChIInChI=1S/C24H21F3N4OS/c1-28-18-9-10-30(14-18)21-7-6-19(13-29-21)31-11-8-16-12-20(33-22(16)23(31)32)15-2-4-17(5-3-15)24(25,26)27/h2-8,11-13,18,28H,9-10,14H2,1H3/t18-/m1/s1
InChIKeyVFIWBFWFIJFCCD-GOSISDBHSA-N
MW470.52 g/mol
LogP4.93
Rot. Bonds4

About 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one

6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one (PubChem CID 44592214) has the molecular formula C24H21F3N4OS and a molecular weight of 470.52 g/mol. Its IUPAC name is 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one
PubChem CID44592214
Molecular FormulaC24H21F3N4OS
Molecular Weight470.52 g/mol
Exact Mass470.14
IUPAC Name6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one
SMILESCN[C@@H]1CCN(c2ccc(-n3ccc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1
InChIInChI=1S/C24H21F3N4OS/c1-28-18-9-10-30(14-18)21-7-6-19(13-29-21)31-11-8-16-12-20(33-22(16)23(31)32)15-2-4-17(5-3-15)24(25,26)27/h2-8,11-13,18,28H,9-10,14H2,1H3/t18-/m1/s1
InChIKeyVFIWBFWFIJFCCD-GOSISDBHSA-N
XLogP4.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one (CID 44592214) is 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one is CN[C@@H]1CCN(c2ccc(-n3ccc4cc(-c5ccc(C(F)(F)F)cc5)sc4c3=O)cn2)C1.
What is the InChIKey of 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one?
The InChIKey is VFIWBFWFIJFCCD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H21F3N4OS/c1-28-18-9-10-30(14-18)21-7-6-19(13-29-21)31-11-8-16-12-20(33-22(16)23(31)32)15-2-4-17(5-3-15)24(25,26)27/h2-8,11-13,18,28H,9-10,14H2,1H3/t18-/m1/s1.
What are the key properties of 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one?
6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one has a molecular weight of 470.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 44592214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).