2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine

C₂₅H₂₄ClF₂N₇ — CID 146611837

About 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine

2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine (PubChem CID 146611837) has the molecular formula C₂₅H₂₄ClF₂N₇ and a molecular weight of 495.97 g/mol. Its IUPAC name is 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

• Compound Name: 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine
• PubChem CID: 146611837
• Molecular Formula: C₂₅H₂₄ClF₂N₇
• Molecular Weight: 495.97 g/mol
• Exact Mass: 495.17
• IUPAC Name: 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine
• SMILES: Fc1cnc(Cl)c([C@H]2CCCN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1
• InChI: InChI=1S/C25H24ClF2N7/c26-25-18(10-16(27)12-31-25)21-2-1-9-34(21)22-4-3-20-24(33-22)23(19(28)13-30-20)15-11-32-35(14-15)17-5-7-29-8-6-17/h3-4,10-14,17,21,29H,1-2,5-9H2/t21-/m1/s1
• InChIKey: IMQAMMDXPOBGOO-OAQYLSRUSA-N
• XLogP: 5.09
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.97
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?

The IUPAC name of 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine (CID 146611837) is 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine.

What is the SMILES notation for 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?

The canonical SMILES for 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine is Fc1cnc(Cl)c([C@H]2CCCN2c2ccc3ncc(F)c(-c4cnn(C5CCNCC5)c4)c3n2)c1.

What is the InChIKey of 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?

The InChIKey is IMQAMMDXPOBGOO-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24ClF2N7/c26-25-18(10-16(27)12-31-25)21-2-1-9-34(21)22-4-3-20-24(33-22)23(19(28)13-30-20)15-11-32-35(14-15)17-5-7-29-8-6-17/h3-4,10-14,17,21,29H,1-2,5-9H2/t21-/m1/s1.

What are the key properties of 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine?

2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 495.97 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-7-fluoro-8-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 146611837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146611837 — identifiers, structure, computed properties (public domain)

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