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

C27H32N4O4 — CID 155682818

IUPACN-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCN(Cc1ccoc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C27H32N4O4/c1-29(16-21-9-14-35-17-21)25(33)30-13-12-27(34,26(18-30)10-5-6-11-26)19-31-20-28-23(15-24(31)32)22-7-3-2-4-8-22/h2-4,7-9,14-15,17,20,34H,5-6,10-13,16,18-19H2,1H3
InChIKeyOVVSNZMGYXBQCP-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.75
Rot. Bonds5

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

N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 155682818) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID155682818
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCN(Cc1ccoc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C27H32N4O4/c1-29(16-21-9-14-35-17-21)25(33)30-13-12-27(34,26(18-30)10-5-6-11-26)19-31-20-28-23(15-24(31)32)22-7-3-2-4-8-22/h2-4,7-9,14-15,17,20,34H,5-6,10-13,16,18-19H2,1H3
InChIKeyOVVSNZMGYXBQCP-UHFFFAOYSA-N
XLogP3.75
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 155682818) is N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is CN(Cc1ccoc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is OVVSNZMGYXBQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-29(16-21-9-14-35-17-21)25(33)30-13-12-27(34,26(18-30)10-5-6-11-26)19-31-20-28-23(15-24(31)32)22-7-3-2-4-8-22/h2-4,7-9,14-15,17,20,34H,5-6,10-13,16,18-19H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 155682818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).