2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C22H23FN4OS — CID 155507347

IUPAC2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCc1cnc(-c2cc3c(s2)C2(CCN(c4ncccc4F)CC2)OCC3)nc1
InChIInChI=1S/C22H23FN4OS/c1-2-15-13-25-20(26-14-15)18-12-16-5-11-28-22(19(16)29-18)6-9-27(10-7-22)21-17(23)4-3-8-24-21/h3-4,8,12-14H,2,5-7,9-11H2,1H3
InChIKeyDPTZWPMEBPCIRZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.37
Rot. Bonds3

About 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 155507347) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID155507347
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC Name2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCc1cnc(-c2cc3c(s2)C2(CCN(c4ncccc4F)CC2)OCC3)nc1
InChIInChI=1S/C22H23FN4OS/c1-2-15-13-25-20(26-14-15)18-12-16-5-11-28-22(19(16)29-18)6-9-27(10-7-22)21-17(23)4-3-8-24-21/h3-4,8,12-14H,2,5-7,9-11H2,1H3
InChIKeyDPTZWPMEBPCIRZ-UHFFFAOYSA-N
XLogP4.37
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] 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 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 155507347) is 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CCc1cnc(-c2cc3c(s2)C2(CCN(c4ncccc4F)CC2)OCC3)nc1.
What is the InChIKey of 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is DPTZWPMEBPCIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-2-15-13-25-20(26-14-15)18-12-16-5-11-28-22(19(16)29-18)6-9-27(10-7-22)21-17(23)4-3-8-24-21/h3-4,8,12-14H,2,5-7,9-11H2,1H3.
What are the key properties of 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 410.52 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylpyrimidin-2-yl)-1'-(3-fluoro-2-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 155507347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).