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

C27H32N4O4 — CID 146627561

IUPACN-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCC(NC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)c1ccoc1
InChIInChI=1S/C27H32N4O4/c1-20(22-9-14-35-16-22)29-25(33)30-13-12-27(34,26(17-30)10-5-6-11-26)18-31-19-28-23(15-24(31)32)21-7-3-2-4-8-21/h2-4,7-9,14-16,19-20,34H,5-6,10-13,17-18H2,1H3,(H,29,33)
InChIKeyRBDZRSPFXGJNAQ-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.97
Rot. Bonds5

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

N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 146627561) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID146627561
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCC(NC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)c1ccoc1
InChIInChI=1S/C27H32N4O4/c1-20(22-9-14-35-16-22)29-25(33)30-13-12-27(34,26(17-30)10-5-6-11-26)18-31-19-28-23(15-24(31)32)21-7-3-2-4-8-21/h2-4,7-9,14-16,19-20,34H,5-6,10-13,17-18H2,1H3,(H,29,33)
InChIKeyRBDZRSPFXGJNAQ-UHFFFAOYSA-N
XLogP3.97
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 146627561) is N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is CC(NC(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)c1ccoc1.
What is the InChIKey of N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is RBDZRSPFXGJNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-20(22-9-14-35-16-22)29-25(33)30-13-12-27(34,26(17-30)10-5-6-11-26)18-31-19-28-23(15-24(31)32)21-7-3-2-4-8-21/h2-4,7-9,14-16,19-20,34H,5-6,10-13,17-18H2,1H3,(H,29,33).
What are the key properties of N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
N-[1-(furan-3-yl)ethyl]-10-hydroxy-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 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)ethyl]-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 146627561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).