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

C23H28FN3O4 — CID 161345437

IUPACN-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCC[C@@H](NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2)[C@@H](C)O
InChIInChI=1S/C23H28FN3O4/c1-4-18(14(3)28)26-23(31)21(29)20-12-16(19-7-5-6-10-27(19)20)22(30)25-15-8-9-17(24)13(2)11-15/h8-9,11-12,14,18,28H,4-7,10H2,1-3H3,(H,25,30)(H,26,31)/t14-,18-/m1/s1
InChIKeyCBGYPSZFKSJBIP-RDTXWAMCSA-N
MW429.49 g/mol
LogP2.98
Rot. Bonds7

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

N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 161345437) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID161345437
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCC[C@@H](NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2)[C@@H](C)O
InChIInChI=1S/C23H28FN3O4/c1-4-18(14(3)28)26-23(31)21(29)20-12-16(19-7-5-6-10-27(19)20)22(30)25-15-8-9-17(24)13(2)11-15/h8-9,11-12,14,18,28H,4-7,10H2,1-3H3,(H,25,30)(H,26,31)/t14-,18-/m1/s1
InChIKeyCBGYPSZFKSJBIP-RDTXWAMCSA-N
XLogP2.98
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2348895
3,6-diethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 68006058
1-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 3245449
1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5308118
N-(3-Methoxypropyl)-1,5-dimethyl-4-oxo-1H,4H,5H-pyrrolo[3,2-C]quinoline-2-carboxamide
CID 5308238
N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
CID 72697053
2-[(4S)-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 72697055
1-N,3-N-bis[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 71696069
3-N-[(1S)-1-phenylpropyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 71696129
3-N-(2-methoxyethyl)-3-N-methyl-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 89726439
3-N-[(1S)-1-cyclopropylethyl]-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 89726669
3-N-[(4-fluorophenyl)methyl]-3-N-methyl-1-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 89726821

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 161345437) is N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is CC[C@@H](NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C)c2)c2n1CCCC2)[C@@H](C)O.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is CBGYPSZFKSJBIP-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H28FN3O4/c1-4-18(14(3)28)26-23(31)21(29)20-12-16(19-7-5-6-10-27(19)20)22(30)25-15-8-9-17(24)13(2)11-15/h8-9,11-12,14,18,28H,4-7,10H2,1-3H3,(H,25,30)(H,26,31)/t14-,18-/m1/s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-[2-[[(2R,3R)-2-hydroxypentan-3-yl]amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 161345437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).