2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone

C25H22ClFN6O2 — CID 138514358

About 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone

2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 138514358) has the molecular formula C25H22ClFN6O2 and a molecular weight of 492.94 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 138514358
• Molecular Formula: C25H22ClFN6O2
• Molecular Weight: 492.94 g/mol
• Exact Mass: 492.15
• IUPAC Name: 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone
• SMILES: Cn1nc(CO)cc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1
• InChI: InChI=1S/C25H22ClFN6O2/c1-32-22(13-19(14-34)31-32)30-21-11-15(4-7-28-21)18-9-16-5-8-33(24(16)20(27)10-18)23(35)12-17-3-2-6-29-25(17)26/h2-4,6-7,9-11,13,34H,5,8,12,14H2,1H3,(H,28,30)
• InChIKey: LXSGYJLRNOJTAM-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 96.17 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	492.94
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
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-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone (CID 138514358) is 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone is Cn1nc(CO)cc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.

What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is LXSGYJLRNOJTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN6O2/c1-32-22(13-19(14-34)31-32)30-21-11-15(4-7-28-21)18-9-16-5-8-33(24(16)20(27)10-18)23(35)12-17-3-2-6-29-25(17)26/h2-4,6-7,9-11,13,34H,5,8,12,14H2,1H3,(H,28,30).

What are the key properties of 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone?

2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 492.94 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 138514358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).