N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide

C₂₄H₁₆ClFN₄OS — CID 162687604

About N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide

N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide (PubChem CID 162687604) has the molecular formula C₂₄H₁₆ClFN₄OS and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
• PubChem CID: 162687604
• Molecular Formula: C₂₄H₁₆ClFN₄OS
• Molecular Weight: 462.94 g/mol
• Exact Mass: 462.07
• IUPAC Name: N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
• SMILES: O=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)s2)ccn1
• InChI: InChI=1S/C24H16ClFN4OS/c25-19-8-7-18(32-19)22-23(29-17-2-1-10-28-24(17)22)15-9-11-27-20(13-15)30-21(31)12-14-3-5-16(26)6-4-14/h1-11,13,29H,12H2,(H,27,30,31)
• InChIKey: USMHWTKVCMQLRC-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.94
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?

The IUPAC name of N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide (CID 162687604) is N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide.

What is the SMILES notation for N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?

The canonical SMILES for N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(Cl)s2)ccn1.

What is the InChIKey of N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?

The InChIKey is USMHWTKVCMQLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4OS/c25-19-8-7-18(32-19)22-23(29-17-2-1-10-28-24(17)22)15-9-11-27-20(13-15)30-21(31)12-14-3-5-16(26)6-4-14/h1-11,13,29H,12H2,(H,27,30,31).

What are the key properties of N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide?

N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 462.94 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(5-chlorothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 162687604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162687604 — identifiers, structure, computed properties (public domain)

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