N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C25H28FN5O4 — CID 146449719

IUPACN-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCc1noc(C(NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)C(C)C)n1
InChIInChI=1S/C25H28FN5O4/c1-13(2)21(25-27-15(4)30-35-25)29-24(34)22(32)20-12-17(19-7-5-6-10-31(19)20)23(33)28-16-8-9-18(26)14(3)11-16/h8-9,11-13,21H,5-7,10H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyYBJYFFIHHUMNMW-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.91
Rot. Bonds7

About N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 146449719) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID146449719
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCc1noc(C(NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)C(C)C)n1
InChIInChI=1S/C25H28FN5O4/c1-13(2)21(25-27-15(4)30-35-25)29-24(34)22(32)20-12-17(19-7-5-6-10-31(19)20)23(33)28-16-8-9-18(26)14(3)11-16/h8-9,11-13,21H,5-7,10H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyYBJYFFIHHUMNMW-UHFFFAOYSA-N
XLogP3.91
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 146449719) is N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is Cc1noc(C(NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)C(C)C)n1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is YBJYFFIHHUMNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-13(2)21(25-27-15(4)30-35-25)29-24(34)22(32)20-12-17(19-7-5-6-10-31(19)20)23(33)28-16-8-9-18(26)14(3)11-16/h8-9,11-13,21H,5-7,10H2,1-4H3,(H,28,33)(H,29,34).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-[2-[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 146449719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).