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

C26H30N4O4 — CID 139375580

IUPAC(10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1ccco1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C26H30N4O4/c31-23-15-22(20-7-2-1-3-8-20)28-19-30(23)18-26(33)12-13-29(17-25(26)10-4-5-11-25)24(32)27-16-21-9-6-14-34-21/h1-3,6-9,14-15,19,33H,4-5,10-13,16-18H2,(H,27,32)/t26-/m1/s1
InChIKeyMWIMWOFYXAJAEA-AREMUKBSSA-N
MW462.55 g/mol
LogP3.41
Rot. Bonds5

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

(10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 139375580) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is (10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID139375580
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name(10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(NCc1ccco1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C26H30N4O4/c31-23-15-22(20-7-2-1-3-8-20)28-19-30(23)18-26(33)12-13-29(17-25(26)10-4-5-11-25)24(32)27-16-21-9-6-14-34-21/h1-3,6-9,14-15,19,33H,4-5,10-13,16-18H2,(H,27,32)/t26-/m1/s1
InChIKeyMWIMWOFYXAJAEA-AREMUKBSSA-N
XLogP3.41
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (10S)-N-(furan-2-ylmethyl)-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 255
CID 146627561
US11807646, Example 232
CID 155682818
(5Z)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3851316
US11053213, Example 26
CID 134218865
US11807646, Example 242
CID 153602990
3-((Benzylimino)ME)2-((2-furylmethyl)amino)-9-ME-4H-pyrido(1,2-A)pyrimidin-4-one
CID 3580649
3-(2-(4-(furan-2-carbonyl)piperazin-1-yl)-2-oxoethyl)-6-phenylpyrimidin-4(3H)-one
CID 25883693
N-[(furan-2-yl)methyl]-2-[4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]acetamide
CID 25883961
N-(furan-2-ylmethyl)-2-(4-(4-methoxyphenyl)-6-oxopyrimidin-1(6H)-yl)acetamide
CID 25884215
2-[4-(4-ethoxyphenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[(furan-2-yl)methyl]acetamide
CID 25885216
6-{[Benzyl(methyl)amino]methyl}-2-[4-(furan-2-carbonyl)piperazin-1-YL]-3,4-dihydropyrimidin-4-one
CID 135933294
N-[(5-benzyl-2-furyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54735134

Frequently Asked Questions

What is the IUPAC name of (10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 139375580) is (10S)-N-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is O=C(NCc1ccco1)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of (10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is MWIMWOFYXAJAEA-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N4O4/c31-23-15-22(20-7-2-1-3-8-20)28-19-30(23)18-26(33)12-13-29(17-25(26)10-4-5-11-25)24(32)27-16-21-9-6-14-34-21/h1-3,6-9,14-15,19,33H,4-5,10-13,16-18H2,(H,27,32)/t26-/m1/s1.
What are the key properties of (10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
(10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-N-(furan-2-ylmethyl)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 139375580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).