Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate

C₁₅H₁₅N₅O₂ — CID 177042905

About Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate

Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate (PubChem CID 177042905) has the molecular formula C₁₅H₁₅N₅O₂ and a molecular weight of 297.32 g/mol. Its IUPAC name is methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate.

Molecular Properties

• Compound Name: Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate
• PubChem CID: 177042905
• Molecular Formula: C₁₅H₁₅N₅O₂
• Molecular Weight: 297.32 g/mol
• Exact Mass: 297.12
• IUPAC Name: methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate
• SMILES: COC(=O)c1c(N)ncc(-c2c(C)ccc3[nH]ncc23)c1N
• InChI: InChI=1S/C15H15N5O2/c1-7-3-4-10-8(6-19-20-10)11(7)9-5-18-14(17)12(13(9)16)15(21)22-2/h3-6H,1-2H3,(H,19,20)(H4,16,17,18)
• InChIKey: JKLRMJNINGZTHP-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 119.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.32
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate?

The IUPAC name of Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate (CID 177042905) is methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate.

What is the SMILES notation for Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate?

The canonical SMILES for Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate is COC(=O)c1c(N)ncc(-c2c(C)ccc3[nH]ncc23)c1N.

What is the InChIKey of Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate?

The InChIKey is JKLRMJNINGZTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-7-3-4-10-8(6-19-20-10)11(7)9-5-18-14(17)12(13(9)16)15(21)22-2/h3-6H,1-2H3,(H,19,20)(H4,16,17,18).

What are the key properties of Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate?

Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate has a molecular weight of 297.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 177042905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177042905 — identifiers, structure, computed properties (public domain)

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