5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine

C28H24N6O2 — CID 137488892

About 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137488892) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137488892
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: c1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)nc34)[nH]c2n1
• InChI: InChI=1S/C28H24N6O2/c1-2-4-19(5-3-1)36-20-12-18(14-29-15-20)23-6-7-24-26(31-23)27(34-33-24)25-13-22-21(17-9-11-35-16-17)8-10-30-28(22)32-25/h6-16,19H,1-5H2,(H,30,32)(H,33,34)
• InChIKey: IDMOOQLSAHLCPA-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 105.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine (CID 137488892) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine is c1cc(-c2ccoc2)c2cc(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)nc34)[nH]c2n1.

What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is IDMOOQLSAHLCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-2-4-19(5-3-1)36-20-12-18(14-29-15-20)23-6-7-24-26(31-23)27(34-33-24)25-13-22-21(17-9-11-35-16-17)8-10-30-28(22)32-25/h6-16,19H,1-5H2,(H,30,32)(H,33,34).

What are the key properties of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine?

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 476.54 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137488892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).