N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide

C23H24N8O2 — CID 139334126

About N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide

N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide (PubChem CID 139334126) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide.

Molecular Properties

• Compound Name: N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide
• PubChem CID: 139334126
• Molecular Formula: C23H24N8O2
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.20
• IUPAC Name: N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide
• SMILES: CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cc(CCCN(C)C=O)no1
• InChI: InChI=1S/C23H24N8O2/c1-15(2)28-20-9-22(31-23-17(12-27-31)7-16(10-24)11-26-23)25-13-19(20)21-8-18(29-33-21)5-4-6-30(3)14-32/h7-9,11-15H,4-6H2,1-3H3,(H,25,28)
• InChIKey: SYIXGQGDPJGSRX-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 125.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide?

The IUPAC name of N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide (CID 139334126) is N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide.

What is the SMILES notation for N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide?

The canonical SMILES for N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide is CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1-c1cc(CCCN(C)C=O)no1.

What is the InChIKey of N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide?

The InChIKey is SYIXGQGDPJGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-15(2)28-20-9-22(31-23-17(12-27-31)7-16(10-24)11-26-23)25-13-19(20)21-8-18(29-33-21)5-4-6-30(3)14-32/h7-9,11-15H,4-6H2,1-3H3,(H,25,28).

What are the key properties of N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide?

N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide has a molecular weight of 444.50 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazol-3-yl]propyl]-N-methylformamide is sourced from PubChem (CID 139334126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).