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

C23H24FN5O4 — CID 146450232

IUPACN-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCc1noc(C(C)NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)n1
InChIInChI=1S/C23H24FN5O4/c1-12-10-15(7-8-17(12)24)27-21(31)16-11-19(29-9-5-4-6-18(16)29)20(30)22(32)25-13(2)23-26-14(3)28-33-23/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,25,32)(H,27,31)
InChIKeyIVOGOXYLDWVVFO-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.28
Rot. Bonds6

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

N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 146450232) has the molecular formula C23H24FN5O4 and a molecular weight of 453.47 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID146450232
Molecular FormulaC23H24FN5O4
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCc1noc(C(C)NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)n1
InChIInChI=1S/C23H24FN5O4/c1-12-10-15(7-8-17(12)24)27-21(31)16-11-19(29-9-5-4-6-18(16)29)20(30)22(32)25-13(2)23-26-14(3)28-33-23/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,25,32)(H,27,31)
InChIKeyIVOGOXYLDWVVFO-UHFFFAOYSA-N
XLogP3.28
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146450260
3-[2-[(3,3-difluoro-1-methylcyclobutyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146535123
N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146449751
N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
CID 51088761
N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 157367819
N-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014524
2-chloro-N-(4-fluoro-3-methylphenyl)-3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
CID 158332344
3-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073677
3-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20912007
N-(3-cyano-4-fluorophenyl)-2-methyl-3-[2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
CID 154663322
N-(3-cyano-4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155190852
N-(3-cyano-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155177178

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 146450232) is N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is Cc1noc(C(C)NC(=O)C(=O)c2cc(C(=O)Nc3ccc(F)c(C)c3)c3n2CCCC3)n1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is IVOGOXYLDWVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4/c1-12-10-15(7-8-17(12)24)27-21(31)16-11-19(29-9-5-4-6-18(16)29)20(30)22(32)25-13(2)23-26-14(3)28-33-23/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,25,32)(H,27,31).
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 3.28, 6 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-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 146450232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).