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

C26H32F2N4O3 — CID 139375838

IUPAC(10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C26H32F2N4O3/c27-26(28)13-19(14-26)15-29-23(34)31-11-10-25(35,24(16-31)8-4-5-9-24)17-32-18-30-21(12-22(32)33)20-6-2-1-3-7-20/h1-3,6-7,12,18-19,35H,4-5,8-11,13-17H2,(H,29,34)/t25-/m1/s1
InChIKeyHMHZFWRVRXAPRY-RUZDIDTESA-N
MW486.56 g/mol
LogP3.66
Rot. Bonds5

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

(10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 139375838) has the molecular formula C26H32F2N4O3 and a molecular weight of 486.56 g/mol. Its IUPAC name is (10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID139375838
Molecular FormulaC26H32F2N4O3
Molecular Weight486.56 g/mol
Exact Mass486.24
IUPAC Name(10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCC1CC(F)(F)C1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C26H32F2N4O3/c27-26(28)13-19(14-26)15-29-23(34)31-11-10-25(35,24(16-31)8-4-5-9-24)17-32-18-30-21(12-22(32)33)20-6-2-1-3-7-20/h1-3,6-7,12,18-19,35H,4-5,8-11,13-17H2,(H,29,34)/t25-/m1/s1
InChIKeyHMHZFWRVRXAPRY-RUZDIDTESA-N
XLogP3.66
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (10S)-N-[(3,3-difluorocyclobutyl)methyl]-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 306
CID 139370430
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

Frequently Asked Questions

What is the IUPAC name of (10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 139375838) is (10S)-N-[(3,3-difluorocyclobutyl)methyl]-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-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is O=C(NCC1CC(F)(F)C1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of (10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is HMHZFWRVRXAPRY-RUZDIDTESA-N. The full InChI is InChI=1S/C26H32F2N4O3/c27-26(28)13-19(14-26)15-29-23(34)31-11-10-25(35,24(16-31)8-4-5-9-24)17-32-18-30-21(12-22(32)33)20-6-2-1-3-7-20/h1-3,6-7,12,18-19,35H,4-5,8-11,13-17H2,(H,29,34)/t25-/m1/s1.
What are the key properties of (10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
(10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 486.56 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-N-[(3,3-difluorocyclobutyl)methyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 139375838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).