(2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone

C48H40Cl2F2N12O4 — CID 162052443

About (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone

(2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone (PubChem CID 162052443) has the molecular formula C48H40Cl2F2N12O4 and a molecular weight of 957.83 g/mol. Its IUPAC name is (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone.

Molecular Properties

• Compound Name: (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone
• PubChem CID: 162052443
• Molecular Formula: C48H40Cl2F2N12O4
• Molecular Weight: 957.83 g/mol
• Exact Mass: 956.26
• IUPAC Name: (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone
• SMILES: Cn1nccc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)[C@@H](O)c2cccnc2Cl)ccn1.Cn1nccc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)[C@H](O)c2cccnc2Cl)ccn1
• InChI: InChI=1S/2C24H20ClFN6O2/c2*1-31-20(5-9-29-31)30-19-13-14(4-8-27-19)16-11-15-6-10-32(21(15)18(26)12-16)24(34)22(33)17-3-2-7-28-23(17)25/h2*2-5,7-9,11-13,22,33H,6,10H2,1H3,(H,27,30)/t2*22-/m10/s1
• InChIKey: YYSKJECPXFLQPE-IKXJNKEISA-N
• XLogP: 8.07
• TPSA: 192.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	957.83
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone?

The IUPAC name of (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone (CID 162052443) is (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone.

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

The canonical SMILES for (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone is Cn1nccc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)[C@@H](O)c2cccnc2Cl)ccn1.Cn1nccc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)[C@H](O)c2cccnc2Cl)ccn1.

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

The InChIKey is YYSKJECPXFLQPE-IKXJNKEISA-N. The full InChI is InChI=1S/2C24H20ClFN6O2/c2*1-31-20(5-9-29-31)30-19-13-14(4-8-27-19)16-11-15-6-10-32(21(15)18(26)12-16)24(34)22(33)17-3-2-7-28-23(17)25/h2*2-5,7-9,11-13,22,33H,6,10H2,1H3,(H,27,30)/t2*22-/m10/s1.

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

(2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone has a molecular weight of 957.83 g/mol, XLogP of 8.07, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone;(2R)-2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 162052443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).