(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol

C₂₀H₂₁N₇O — CID 139468791

About (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol

(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol (PubChem CID 139468791) has the molecular formula C₂₀H₂₁N₇O and a molecular weight of 375.44 g/mol. Its IUPAC name is (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol
• PubChem CID: 139468791
• Molecular Formula: C₂₀H₂₁N₇O
• Molecular Weight: 375.44 g/mol
• Exact Mass: 375.18
• IUPAC Name: (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol
• SMILES: Cc1ccncc1-c1cc2cc(Nc3cnn([C@@H](C)CO)c3)ncc2c(N)n1
• InChI: InChI=1S/C20H21N7O/c1-12-3-4-22-8-16(12)18-5-14-6-19(23-9-17(14)20(21)26-18)25-15-7-24-27(10-15)13(2)11-28/h3-10,13,28H,11H2,1-2H3,(H2,21,26)(H,23,25)/t13-/m0/s1
• InChIKey: GJMWANQGFGNJEQ-ZDUSSCGKSA-N
• XLogP: 3.08
• TPSA: 114.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.44
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol?

The IUPAC name of (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol (CID 139468791) is (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol.

What is the SMILES notation for (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol?

The canonical SMILES for (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol is Cc1ccncc1-c1cc2cc(Nc3cnn([C@@H](C)CO)c3)ncc2c(N)n1.

What is the InChIKey of (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol?

The InChIKey is GJMWANQGFGNJEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N7O/c1-12-3-4-22-8-16(12)18-5-14-6-19(23-9-17(14)20(21)26-18)25-15-7-24-27(10-15)13(2)11-28/h3-10,13,28H,11H2,1-2H3,(H2,21,26)(H,23,25)/t13-/m0/s1.

What are the key properties of (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol?

(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol has a molecular weight of 375.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 139468791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139468791 — identifiers, structure, computed properties (public domain)

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