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

C27H31N5O3 — CID 139375621

IUPAC10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1cccnc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C27H31N5O3/c33-24-15-23(22-8-2-1-3-9-22)30-20-32(24)19-27(35)12-14-31(18-26(27)10-4-5-11-26)25(34)29-17-21-7-6-13-28-16-21/h1-3,6-9,13,15-16,20,35H,4-5,10-12,14,17-19H2,(H,29,34)
InChIKeyJURKHXSEHJAEPW-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.21
Rot. Bonds5

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

10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 139375621) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID139375621
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1cccnc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C27H31N5O3/c33-24-15-23(22-8-2-1-3-9-22)30-20-32(24)19-27(35)12-14-31(18-26(27)10-4-5-11-26)25(34)29-17-21-7-6-13-28-16-21/h1-3,6-9,13,15-16,20,35H,4-5,10-12,14,17-19H2,(H,29,34)
InChIKeyJURKHXSEHJAEPW-UHFFFAOYSA-N
XLogP3.21
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US11807646, Example 185
CID 139369838
US11807646, Example 171
CID 139370249
US11807646, Example 201
CID 139375475
US11807646, Example 19
CID 139375655
US11807646, Example 289
CID 139375668
US11807646, Example 249
CID 146627515
US11807646, Example 274
CID 146671365
US11807646, Example 245
CID 155682806
3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 156788000
US11807646, Example 200
CID 139375444
US11807646, Example 246
CID 146627562
US11807646, Example 244
CID 155682840

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide (CID 139375621) is 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide is O=C(NCc1cccnc1)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is JURKHXSEHJAEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c33-24-15-23(22-8-2-1-3-9-22)30-20-32(24)19-27(35)12-14-31(18-26(27)10-4-5-11-26)25(34)29-17-21-7-6-13-28-16-21/h1-3,6-9,13,15-16,20,35H,4-5,10-12,14,17-19H2,(H,29,34).
What are the key properties of 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide?
10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 139375621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).