6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one

C24H23FN4OS — CID 174589963

IUPAC6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one
SMILES[H]/N=C(\C[C@@H](C)N(C)C)c1ccc(-n2ccc3cc(-c4ccc(F)cc4)sc3c2=O)cn1
InChIInChI=1S/C24H23FN4OS/c1-15(28(2)3)12-20(26)21-9-8-19(14-27-21)29-11-10-17-13-22(31-23(17)24(29)30)16-4-6-18(25)7-5-16/h4-11,13-15,26H,12H2,1-3H3/b26-20+/t15-/m1/s1
InChIKeyGAXVSIVWEQFUNM-VDTAOSLHSA-N
MW434.54 g/mol
LogP4.96
Rot. Bonds6

About 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one

6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one (PubChem CID 174589963) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one
PubChem CID174589963
Molecular FormulaC24H23FN4OS
Molecular Weight434.54 g/mol
Exact Mass434.16
IUPAC Name6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one
SMILES[H]/N=C(\C[C@@H](C)N(C)C)c1ccc(-n2ccc3cc(-c4ccc(F)cc4)sc3c2=O)cn1
InChIInChI=1S/C24H23FN4OS/c1-15(28(2)3)12-20(26)21-9-8-19(14-27-21)29-11-10-17-13-22(31-23(17)24(29)30)16-4-6-18(25)7-5-16/h4-11,13-15,26H,12H2,1-3H3/b26-20+/t15-/m1/s1
InChIKeyGAXVSIVWEQFUNM-VDTAOSLHSA-N
XLogP4.96
TPSA61.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one (CID 174589963) is 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one is [H]/N=C(\C[C@@H](C)N(C)C)c1ccc(-n2ccc3cc(-c4ccc(F)cc4)sc3c2=O)cn1.
What is the InChIKey of 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one?
The InChIKey is GAXVSIVWEQFUNM-VDTAOSLHSA-N. The full InChI is InChI=1S/C24H23FN4OS/c1-15(28(2)3)12-20(26)21-9-8-19(14-27-21)29-11-10-17-13-22(31-23(17)24(29)30)16-4-6-18(25)7-5-16/h4-11,13-15,26H,12H2,1-3H3/b26-20+/t15-/m1/s1.
What are the key properties of 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one?
6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one has a molecular weight of 434.54 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3R)-3-(dimethylamino)butanimidoyl]-3-pyridinyl]-2-(4-fluorophenyl)thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 174589963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).