2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

C20H15ClFN3O2S — CID 169135252

IUPAC2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESCOc1cc(F)ccc1-c1c(-c2nc3c(o2)CCNC3)nc(Cl)c2ccsc12
InChIInChI=1S/C20H15ClFN3O2S/c1-26-15-8-10(22)2-3-11(15)16-17(25-19(21)12-5-7-28-18(12)16)20-24-13-9-23-6-4-14(13)27-20/h2-3,5,7-8,23H,4,6,9H2,1H3
InChIKeyUAQUNQUKBYIKBK-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.07
Rot. Bonds3

About 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169135252) has the molecular formula C20H15ClFN3O2S and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169135252
Molecular FormulaC20H15ClFN3O2S
Molecular Weight415.88 g/mol
Exact Mass415.06
IUPAC Name2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESCOc1cc(F)ccc1-c1c(-c2nc3c(o2)CCNC3)nc(Cl)c2ccsc12
InChIInChI=1S/C20H15ClFN3O2S/c1-26-15-8-10(22)2-3-11(15)16-17(25-19(21)12-5-7-28-18(12)16)20-24-13-9-23-6-4-14(13)27-20/h2-3,5,7-8,23H,4,6,9H2,1H3
InChIKeyUAQUNQUKBYIKBK-UHFFFAOYSA-N
XLogP5.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (CID 169135252) is 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is COc1cc(F)ccc1-c1c(-c2nc3c(o2)CCNC3)nc(Cl)c2ccsc12.
What is the InChIKey of 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is UAQUNQUKBYIKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S/c1-26-15-8-10(22)2-3-11(15)16-17(25-19(21)12-5-7-28-18(12)16)20-24-13-9-23-6-4-14(13)27-20/h2-3,5,7-8,23H,4,6,9H2,1H3.
What are the key properties of 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 415.88 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-7-(4-fluoro-2-methoxyphenyl)thieno[3,2-c]pyridin-6-yl]-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169135252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).