N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C25H31FN4O5 — CID 146449709

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 146449709) has the molecular formula C25H31FN4O5 and a molecular weight of 486.54 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 146449709
• Molecular Formula: C25H31FN4O5
• Molecular Weight: 486.54 g/mol
• Exact Mass: 486.23
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3COC[C@@H]3N3CCOCC3)n(C)c2C)ccc1F
• InChI: InChI=1S/C25H31FN4O5/c1-14-11-17(5-6-18(14)26)27-24(32)21-15(2)22(29(4)16(21)3)23(31)25(33)28-19-12-35-13-20(19)30-7-9-34-10-8-30/h5-6,11,19-20H,7-10,12-13H2,1-4H3,(H,27,32)(H,28,33)/t19-,20-/m0/s1
• InChIKey: SKIZGPGWAYJWFO-PMACEKPBSA-N
• XLogP: 1.74
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.54
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 146449709) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3COC[C@@H]3N3CCOCC3)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is SKIZGPGWAYJWFO-PMACEKPBSA-N. The full InChI is InChI=1S/C25H31FN4O5/c1-14-11-17(5-6-18(14)26)27-24(32)21-15(2)22(29(4)16(21)3)23(31)25(33)28-19-12-35-13-20(19)30-7-9-34-10-8-30/h5-6,11,19-20H,7-10,12-13H2,1-4H3,(H,27,32)(H,28,33)/t19-,20-/m0/s1.

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 1.74, 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)-1,2,4-trimethyl-5-[2-[[(3R,4R)-4-morpholin-4-yloxolan-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146449709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).