4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

C21H21FN6O3S — CID 24829451

IUPAC4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)nc12
InChIInChI=1S/C21H21FN6O3S/c1-31-16-15-17(25-11-24-16)32-19(26-15)27-20(30)28-8-6-21(7-9-28)14(10-23-18(21)29)12-2-4-13(22)5-3-12/h2-5,11,14H,6-10H2,1H3,(H,23,29)(H,26,27,30)
InChIKeyAEEZPTBIXMDLKJ-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.76
Rot. Bonds3

About 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 24829451) has the molecular formula C21H21FN6O3S and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID24829451
Molecular FormulaC21H21FN6O3S
Molecular Weight456.50 g/mol
Exact Mass456.14
IUPAC Name4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)nc12
InChIInChI=1S/C21H21FN6O3S/c1-31-16-15-17(25-11-24-16)32-19(26-15)27-20(30)28-8-6-21(7-9-28)14(10-23-18(21)29)12-2-4-13(22)5-3-12/h2-5,11,14H,6-10H2,1H3,(H,23,29)(H,26,27,30)
InChIKeyAEEZPTBIXMDLKJ-UHFFFAOYSA-N
XLogP2.76
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 24829451) is 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is COc1ncnc2sc(NC(=O)N3CCC4(CC3)C(=O)NCC4c3ccc(F)cc3)nc12.
What is the InChIKey of 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is AEEZPTBIXMDLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3S/c1-31-16-15-17(25-11-24-16)32-19(26-15)27-20(30)28-8-6-21(7-9-28)14(10-23-18(21)29)12-2-4-13(22)5-3-12/h2-5,11,14H,6-10H2,1H3,(H,23,29)(H,26,27,30).
What are the key properties of 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 24829451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).