1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one

C25H20F2N2O3S — CID 58474489

IUPAC1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
SMILESCOc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)c(F)c4F)c3s2)nc1
InChIInChI=1S/C25H20F2N2O3S/c1-31-17-5-6-18(29-13-17)22-12-19-25(33-22)21(8-9-28-19)32-20-7-4-15(23(26)24(20)27)11-16(30)10-14-2-3-14/h4-9,12-14H,2-3,10-11H2,1H3
InChIKeyUOVBNRUHJMGCCK-UHFFFAOYSA-N
MW466.51 g/mol
LogP6.35
Rot. Bonds8

About 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one

1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (PubChem CID 58474489) has the molecular formula C25H20F2N2O3S and a molecular weight of 466.51 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
PubChem CID58474489
Molecular FormulaC25H20F2N2O3S
Molecular Weight466.51 g/mol
Exact Mass466.12
IUPAC Name1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
SMILESCOc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)c(F)c4F)c3s2)nc1
InChIInChI=1S/C25H20F2N2O3S/c1-31-17-5-6-18(29-13-17)22-12-19-25(33-22)21(8-9-28-19)32-20-7-4-15(23(26)24(20)27)11-16(30)10-14-2-3-14/h4-9,12-14H,2-3,10-11H2,1H3
InChIKeyUOVBNRUHJMGCCK-UHFFFAOYSA-N
XLogP6.35
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one with MolForge

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Related Compounds

N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide
CID 58477390
carbon dioxide;1-cyclopropyl-3-[4-[2-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-2,3-difluorophenyl]propan-2-one
CID 123944948
1-[4-[2-[5-[(5-aminopentylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-2,3-difluorophenyl]-3-cyclopropylpropan-2-one
CID 123594521
tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate
CID 158860924
1-cyclopropyl-3-[3-fluoro-4-[2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 158339736
cyclobutanol;1-cyclopropyl-3-[4-[2-(5-ethyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one
CID 123318324
1-cyclopropyl-3-[3-fluoro-4-[2-[5-(hydroxymethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;thionyl dichloride
CID 123912145
1-[4-[2-[5-[[[(2S)-butan-2-yl]amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylpropan-2-one
CID 58207650
(3S)-1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-methylpyrrolidin-2-one
CID 58474896
6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine
CID 123394627
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide
CID 58207765
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474608

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The IUPAC name of 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (CID 58474489) is 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is COc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)c(F)c4F)c3s2)nc1.
What is the InChIKey of 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
The InChIKey is UOVBNRUHJMGCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3S/c1-31-17-5-6-18(29-13-17)22-12-19-25(33-22)21(8-9-28-19)32-20-7-4-15(23(26)24(20)27)11-16(30)10-14-2-3-14/h4-9,12-14H,2-3,10-11H2,1H3.
What are the key properties of 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?
1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one has a molecular weight of 466.51 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2,3-difluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is sourced from PubChem (CID 58474489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).