(10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide

C24H26F6N4O3 — CID 139375628

IUPAC(10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NC(C(F)(F)F)C(F)(F)F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C24H26F6N4O3/c25-23(26,27)19(24(28,29)30)32-20(36)33-11-10-22(37,21(13-33)8-4-5-9-21)14-34-15-31-17(12-18(34)35)16-6-2-1-3-7-16/h1-3,6-7,12,15,19,37H,4-5,8-11,13-14H2,(H,32,36)/t22-/m1/s1
InChIKeyCNVXIEYJYRDCTQ-JOCHJYFZSA-N
MW532.49 g/mol
LogP4.11
Rot. Bonds4

About (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide

(10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 139375628) has the molecular formula C24H26F6N4O3 and a molecular weight of 532.49 g/mol. Its IUPAC name is (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID139375628
Molecular FormulaC24H26F6N4O3
Molecular Weight532.49 g/mol
Exact Mass532.19
IUPAC Name(10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NC(C(F)(F)F)C(F)(F)F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C24H26F6N4O3/c25-23(26,27)19(24(28,29)30)32-20(36)33-11-10-22(37,21(13-33)8-4-5-9-21)14-34-15-31-17(12-18(34)35)16-6-2-1-3-7-16/h1-3,6-7,12,15,19,37H,4-5,8-11,13-14H2,(H,32,36)/t22-/m1/s1
InChIKeyCNVXIEYJYRDCTQ-JOCHJYFZSA-N
XLogP4.11
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide with MolForge

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Related Compounds

US11807646, Example 320
CID 139369772
US11807646, Example 315
CID 139369986
US11807646, Example 210
CID 139370031
US11807646, Example 290
CID 139370405
US11807646, Example 278
CID 139370412
US11807646, Example 314
CID 139370423
US11807646, Example 300
CID 139370440
US11807646, Example 319
CID 139370444
US11807646, Example 316
CID 139370482
US11807646, Example 292
CID 139370490
US11807646, Example 264
CID 139370501
US11807646, Example 193
CID 139372148

Frequently Asked Questions

What is the IUPAC name of (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 139375628) is (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is O=C(NC(C(F)(F)F)C(F)(F)F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is CNVXIEYJYRDCTQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26F6N4O3/c25-23(26,27)19(24(28,29)30)32-20(36)33-11-10-22(37,21(13-33)8-4-5-9-21)14-34-15-31-17(12-18(34)35)16-6-2-1-3-7-16/h1-3,6-7,12,15,19,37H,4-5,8-11,13-14H2,(H,32,36)/t22-/m1/s1.
What are the key properties of (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
(10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 532.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 139375628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).