3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide

C25H18F2N2O3S — CID 155125917

IUPAC3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(=O)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)ccnc12
InChIInChI=1S/C25H18F2N2O3S/c1-13(30)21-22-23(17(6-8-28-22)14-10-15(26)12-16(27)11-14)33-24(21)25(31)29-19-7-9-32-20-5-3-2-4-18(19)20/h2-6,8,10-12,19H,7,9H2,1H3,(H,29,31)/t19-/m0/s1
InChIKeyZMNQRHJOTJHNDK-IBGZPJMESA-N
MW464.49 g/mol
LogP5.70
Rot. Bonds4

About 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide

3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155125917) has the molecular formula C25H18F2N2O3S and a molecular weight of 464.49 g/mol. Its IUPAC name is 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID155125917
Molecular FormulaC25H18F2N2O3S
Molecular Weight464.49 g/mol
Exact Mass464.10
IUPAC Name3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(=O)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)ccnc12
InChIInChI=1S/C25H18F2N2O3S/c1-13(30)21-22-23(17(6-8-28-22)14-10-15(26)12-16(27)11-14)33-24(21)25(31)29-19-7-9-32-20-5-3-2-4-18(19)20/h2-6,8,10-12,19H,7,9H2,1H3,(H,29,31)/t19-/m0/s1
InChIKeyZMNQRHJOTJHNDK-IBGZPJMESA-N
XLogP5.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide 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 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide (CID 155125917) is 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide is CC(=O)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(F)cc(F)c3)ccnc12.
What is the InChIKey of 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZMNQRHJOTJHNDK-IBGZPJMESA-N. The full InChI is InChI=1S/C25H18F2N2O3S/c1-13(30)21-22-23(17(6-8-28-22)14-10-15(26)12-16(27)11-14)33-24(21)25(31)29-19-7-9-32-20-5-3-2-4-18(19)20/h2-6,8,10-12,19H,7,9H2,1H3,(H,29,31)/t19-/m0/s1.
What are the key properties of 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide?
3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155125917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).