3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide

C48H45N27O — CID 159592414

About 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide

3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide (PubChem CID 159592414) has the molecular formula C48H45N27O and a molecular weight of 1016.08 g/mol. Its IUPAC name is 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide.

Molecular Properties

• Compound Name: 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide
• PubChem CID: 159592414
• Molecular Formula: C48H45N27O
• Molecular Weight: 1016.08 g/mol
• Exact Mass: 1015.43
• IUPAC Name: 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide
• SMILES: CC(c1ccc(N)nc1)n1nnc2ncc(-c3cnn(C)c3)nc21.CC(c1ccc(NC=O)nc1)n1nnc2ncc(-c3cnn(C)c3)nc21.CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21
• InChI: InChI=1S/C17H15N9.C16H15N9O.C15H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13;1-10(11-3-4-14(17-5-11)19-9-26)25-16-15(22-23-25)18-7-13(21-16)12-6-20-24(2)8-12;1-9(10-3-4-13(16)17-5-10)24-15-14(21-22-24)18-7-12(20-15)11-6-19-23(2)8-11/h3-11H,1-2H3;3-10H,1-2H3,(H,17,19,26);3-9H,1-2H3,(H2,16,17)
• InChIKey: MKKHEUBHVUZHAQ-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 321.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.08
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide?

The IUPAC name of 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide (CID 159592414) is 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide.

What is the SMILES notation for 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide?

The canonical SMILES for 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide is CC(c1ccc(N)nc1)n1nnc2ncc(-c3cnn(C)c3)nc21.CC(c1ccc(NC=O)nc1)n1nnc2ncc(-c3cnn(C)c3)nc21.CC(c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.

What is the InChIKey of 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide?

The InChIKey is MKKHEUBHVUZHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9.C16H15N9O.C15H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13;1-10(11-3-4-14(17-5-11)19-9-26)25-16-15(22-23-25)18-7-13(21-16)12-6-20-24(2)8-12;1-9(10-3-4-13(16)17-5-10)24-15-14(21-22-24)18-7-12(20-15)11-6-19-23(2)8-11/h3-11H,1-2H3;3-10H,1-2H3,(H,17,19,26);3-9H,1-2H3,(H2,16,17).

What are the key properties of 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide?

3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide has a molecular weight of 1016.08 g/mol, XLogP of 4.28, 11 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-imidazo[1,2-a]pyridin-6-ylethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]pyridin-2-amine;N-[5-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-2-pyridinyl]formamide is sourced from PubChem (CID 159592414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).