N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

C26H26F4N6O2 — CID 164836411

About N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 164836411) has the molecular formula C26H26F4N6O2 and a molecular weight of 530.53 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
• PubChem CID: 164836411
• Molecular Formula: C26H26F4N6O2
• Molecular Weight: 530.53 g/mol
• Exact Mass: 530.21
• IUPAC Name: N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)C2NCC=C2C(F)(F)F)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1
• InChI: InChI=1S/C26H26F4N6O2/c1-15-11-19(27)20(34-25(37)24-18(3-5-31-24)26(28,29)30)14-17(15)16-12-21(22-4-6-32-35(22)2)33-23(13-16)36-7-9-38-10-8-36/h3-4,6,11-14,24,31H,5,7-10H2,1-2H3,(H,34,37)
• InChIKey: RESSFODFYVOKKY-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.53
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 164836411) is N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is Cc1cc(F)c(NC(=O)C2NCC=C2C(F)(F)F)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1.

What is the InChIKey of N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?

The InChIKey is RESSFODFYVOKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N6O2/c1-15-11-19(27)20(34-25(37)24-18(3-5-31-24)26(28,29)30)14-17(15)16-12-21(22-4-6-32-35(22)2)33-23(13-16)36-7-9-38-10-8-36/h3-4,6,11-14,24,31H,5,7-10H2,1-2H3,(H,34,37).

What are the key properties of N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?

N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 530.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164836411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).