N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide

C26H25F2N5O3 — CID 165140707

About N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide

N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 165140707) has the molecular formula C26H25F2N5O3 and a molecular weight of 493.51 g/mol. Its IUPAC name is N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide
• PubChem CID: 165140707
• Molecular Formula: C26H25F2N5O3
• Molecular Weight: 493.51 g/mol
• Exact Mass: 493.19
• IUPAC Name: N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide
• SMILES: O=C(NC(c1ccccc1)c1ccc(C2CC2)c(F)n1)C1CC(F)CN1C(=O)Cc1c[nH]c(=O)cn1
• InChI: InChI=1S/C26H25F2N5O3/c27-17-10-21(33(14-17)23(35)11-18-12-30-22(34)13-29-18)26(36)32-24(16-4-2-1-3-5-16)20-9-8-19(15-6-7-15)25(28)31-20/h1-5,8-9,12-13,15,17,21,24H,6-7,10-11,14H2,(H,30,34)(H,32,36)
• InChIKey: XQFIPFWCGZGZHX-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.51
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 165140707) is N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2CC2)c(F)n1)C1CC(F)CN1C(=O)Cc1c[nH]c(=O)cn1.

What is the InChIKey of N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide?

The InChIKey is XQFIPFWCGZGZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3/c27-17-10-21(33(14-17)23(35)11-18-12-30-22(34)13-29-18)26(36)32-24(16-4-2-1-3-5-16)20-9-8-19(15-6-7-15)25(28)31-20/h1-5,8-9,12-13,15,17,21,24H,6-7,10-11,14H2,(H,30,34)(H,32,36).

What are the key properties of N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide?

N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 493.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(6-oxo-1H-pyrazin-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165140707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).