3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine

C25H18N6S — CID 145254470

About 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine

3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145254470) has the molecular formula C25H18N6S and a molecular weight of 434.53 g/mol. Its IUPAC name is 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 145254470
• Molecular Formula: C25H18N6S
• Molecular Weight: 434.53 g/mol
• Exact Mass: 434.13
• IUPAC Name: 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: C=C(C)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)nc45)cc23)s1
• InChI: InChI=1S/C25H18N6S/c1-14(2)22-8-9-23(32-22)16-12-26-13-21-15(16)11-20(28-21)25-24-19(30-31-25)7-6-18(29-24)17-5-3-4-10-27-17/h3-13,28H,1H2,2H3,(H,30,31)
• InChIKey: AGGMPLWGZYBMKM-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.53
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 145254470) is 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is C=C(C)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)nc45)cc23)s1.

What is the InChIKey of 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is AGGMPLWGZYBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6S/c1-14(2)22-8-9-23(32-22)16-12-26-13-21-15(16)11-20(28-21)25-24-19(30-31-25)7-6-18(29-24)17-5-3-4-10-27-17/h3-13,28H,1H2,2H3,(H,30,31).

What are the key properties of 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 434.53 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145254470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).