(2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol

C₂₀H₁₈ClN₅O — CID 164614171

About (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol

(2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol (PubChem CID 164614171) has the molecular formula C₂₀H₁₈ClN₅O and a molecular weight of 379.85 g/mol. Its IUPAC name is (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

• Compound Name: (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol
• PubChem CID: 164614171
• Molecular Formula: C₂₀H₁₈ClN₅O
• Molecular Weight: 379.85 g/mol
• Exact Mass: 379.12
• IUPAC Name: (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol
• SMILES: Cc1[nH]nc2ncc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3Cl)cc12
• InChI: InChI=1S/C20H18ClN5O/c1-12-16-7-14(9-23-20(16)26-25-12)17-8-15(10-22-19(17)21)24-18(11-27)13-5-3-2-4-6-13/h2-10,18,24,27H,11H2,1H3,(H,23,25,26)/t18-/m0/s1
• InChIKey: VSIAIRQSYURWTI-SFHVURJKSA-N
• XLogP: 4.13
• TPSA: 86.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.85
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
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 (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol?

The IUPAC name of (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol (CID 164614171) is (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol.

What is the SMILES notation for (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol?

The canonical SMILES for (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol is Cc1[nH]nc2ncc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3Cl)cc12.

What is the InChIKey of (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol?

The InChIKey is VSIAIRQSYURWTI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-12-16-7-14(9-23-20(16)26-25-12)17-8-15(10-22-19(17)21)24-18(11-27)13-5-3-2-4-6-13/h2-10,18,24,27H,11H2,1H3,(H,23,25,26)/t18-/m0/s1.

What are the key properties of (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol?

(2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol has a molecular weight of 379.85 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[6-chloro-5-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 164614171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164614171 — identifiers, structure, computed properties (public domain)

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