7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C24H17FN6OS — CID 134528393

IUPAC7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(c1cc(-c2ccccc2F)no1)n1cc(-c2cc3cnccc3s2)c2c(N)ncnc21
InChIInChI=1S/C24H17FN6OS/c1-13(19-9-18(30-32-19)15-4-2-3-5-17(15)25)31-11-16(22-23(26)28-12-29-24(22)31)21-8-14-10-27-7-6-20(14)33-21/h2-13H,1H3,(H2,26,28,29)
InChIKeyCQLANMGABLGMSJ-UHFFFAOYSA-N
MW456.51 g/mol
LogP5.69
Rot. Bonds4

About 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134528393) has the molecular formula C24H17FN6OS and a molecular weight of 456.51 g/mol. Its IUPAC name is 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134528393
Molecular FormulaC24H17FN6OS
Molecular Weight456.51 g/mol
Exact Mass456.12
IUPAC Name7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(c1cc(-c2ccccc2F)no1)n1cc(-c2cc3cnccc3s2)c2c(N)ncnc21
InChIInChI=1S/C24H17FN6OS/c1-13(19-9-18(30-32-19)15-4-2-3-5-17(15)25)31-11-16(22-23(26)28-12-29-24(22)31)21-8-14-10-27-7-6-20(14)33-21/h2-13H,1H3,(H2,26,28,29)
InChIKeyCQLANMGABLGMSJ-UHFFFAOYSA-N
XLogP5.69
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 134528393) is 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(c1cc(-c2ccccc2F)no1)n1cc(-c2cc3cnccc3s2)c2c(N)ncnc21.
What is the InChIKey of 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CQLANMGABLGMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6OS/c1-13(19-9-18(30-32-19)15-4-2-3-5-17(15)25)31-11-16(22-23(26)28-12-29-24(22)31)21-8-14-10-27-7-6-20(14)33-21/h2-13H,1H3,(H2,26,28,29).
What are the key properties of 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 456.51 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]ethyl]-5-thieno[3,2-c]pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134528393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).