2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

C23H22FN5OS — CID 95618195

IUPAC2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCCc1cc2c(N3CCC4(CC3)C[C@H]4c3nnc(-c4cccc(F)c4)o3)ncnc2s1
InChIInChI=1S/C23H22FN5OS/c1-2-16-11-17-19(25-13-26-22(17)31-16)29-8-6-23(7-9-29)12-18(23)21-28-27-20(30-21)14-4-3-5-15(24)10-14/h3-5,10-11,13,18H,2,6-9,12H2,1H3/t18-/m0/s1
InChIKeyCDSMQEFJBQYZSL-SFHVURJKSA-N
MW435.53 g/mol
LogP5.22
Rot. Bonds4

About 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 95618195) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID95618195
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC Name2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESCCc1cc2c(N3CCC4(CC3)C[C@H]4c3nnc(-c4cccc(F)c4)o3)ncnc2s1
InChIInChI=1S/C23H22FN5OS/c1-2-16-11-17-19(25-13-26-22(17)31-16)29-8-6-23(7-9-29)12-18(23)21-28-27-20(30-21)14-4-3-5-15(24)10-14/h3-5,10-11,13,18H,2,6-9,12H2,1H3/t18-/m0/s1
InChIKeyCDSMQEFJBQYZSL-SFHVURJKSA-N
XLogP5.22
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 95618195) is 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is CCc1cc2c(N3CCC4(CC3)C[C@H]4c3nnc(-c4cccc(F)c4)o3)ncnc2s1.
What is the InChIKey of 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is CDSMQEFJBQYZSL-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22FN5OS/c1-2-16-11-17-19(25-13-26-22(17)31-16)29-8-6-23(7-9-29)12-18(23)21-28-27-20(30-21)14-4-3-5-15(24)10-14/h3-5,10-11,13,18H,2,6-9,12H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 435.53 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 95618195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).