8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide

C24H25F2N5O3S — CID 155351515

IUPAC8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide
SMILESCc1ncc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC(F)(F)CC5)C4O)nc3)ccn2)s1
InChIInChI=1S/C24H25F2N5O3S/c1-15-28-14-19(35-15)18-12-16(4-10-27-18)34-17-2-3-20(29-13-17)30-22(33)31-11-9-23(21(31)32)5-7-24(25,26)8-6-23/h2-4,10,12-14,21,32H,5-9,11H2,1H3,(H,29,30,33)
InChIKeyCIXROJTVSWXVJN-UHFFFAOYSA-N
MW501.56 g/mol
LogP5.45
Rot. Bonds4

About 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide

8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 155351515) has the molecular formula C24H25F2N5O3S and a molecular weight of 501.56 g/mol. Its IUPAC name is 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID155351515
Molecular FormulaC24H25F2N5O3S
Molecular Weight501.56 g/mol
Exact Mass501.16
IUPAC Name8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide
SMILESCc1ncc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC(F)(F)CC5)C4O)nc3)ccn2)s1
InChIInChI=1S/C24H25F2N5O3S/c1-15-28-14-19(35-15)18-12-16(4-10-27-18)34-17-2-3-20(29-13-17)30-22(33)31-11-9-23(21(31)32)5-7-24(25,26)8-6-23/h2-4,10,12-14,21,32H,5-9,11H2,1H3,(H,29,30,33)
InChIKeyCIXROJTVSWXVJN-UHFFFAOYSA-N
XLogP5.45
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide (CID 155351515) is 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide is Cc1ncc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC(F)(F)CC5)C4O)nc3)ccn2)s1.
What is the InChIKey of 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is CIXROJTVSWXVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3S/c1-15-28-14-19(35-15)18-12-16(4-10-27-18)34-17-2-3-20(29-13-17)30-22(33)31-11-9-23(21(31)32)5-7-24(25,26)8-6-23/h2-4,10,12-14,21,32H,5-9,11H2,1H3,(H,29,30,33).
What are the key properties of 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide?
8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-1-hydroxy-N-[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 155351515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).