N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide

C26H27FN4O4 — CID 46334948

IUPACN-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C26H27FN4O4/c1-17-23(19-3-7-21(27)8-4-19)24(28-18(2)32)31(29-17)22-9-5-20(6-10-22)25(33)30-13-11-26(12-14-30)34-15-16-35-26/h3-10H,11-16H2,1-2H3,(H,28,32)
InChIKeyJJJPFGZKDFYRDC-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.92
Rot. Bonds4

About N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide

N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide (PubChem CID 46334948) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide
PubChem CID46334948
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC NameN-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C26H27FN4O4/c1-17-23(19-3-7-21(27)8-4-19)24(28-18(2)32)31(29-17)22-9-5-20(6-10-22)25(33)30-13-11-26(12-14-30)34-15-16-35-26/h3-10H,11-16H2,1-2H3,(H,28,32)
InChIKeyJJJPFGZKDFYRDC-UHFFFAOYSA-N
XLogP3.92
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide?
The IUPAC name of N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide (CID 46334948) is N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide is CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide?
The InChIKey is JJJPFGZKDFYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-17-23(19-3-7-21(27)8-4-19)24(28-18(2)32)31(29-17)22-9-5-20(6-10-22)25(33)30-13-11-26(12-14-30)34-15-16-35-26/h3-10H,11-16H2,1-2H3,(H,28,32).
What are the key properties of N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide?
N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide has a molecular weight of 478.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide is sourced from PubChem (CID 46334948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).