1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone

C24H16FN7OS — CID 137135493

About 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone

1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone (PubChem CID 137135493) has the molecular formula C24H16FN7OS and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
• PubChem CID: 137135493
• Molecular Formula: C24H16FN7OS
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.11
• IUPAC Name: 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
• SMILES: CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)c(F)c45)[nH]c23)s1
• InChI: InChI=1S/C24H16FN7OS/c1-11(33)17-4-5-18(34-17)15-6-7-28-23-21(15)29-24(30-23)22-19-16(31-32-22)3-2-14(20(19)25)12-8-13(26)10-27-9-12/h2-10H,26H2,1H3,(H,31,32)(H,28,29,30)
• InChIKey: UTZVWFBWILNAQU-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 126.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone?

The IUPAC name of 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone (CID 137135493) is 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone.

What is the SMILES notation for 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone?

The canonical SMILES for 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N)c6)c(F)c45)[nH]c23)s1.

What is the InChIKey of 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone?

The InChIKey is UTZVWFBWILNAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7OS/c1-11(33)17-4-5-18(34-17)15-6-7-28-23-21(15)29-24(30-23)22-19-16(31-32-22)3-2-14(20(19)25)12-8-13(26)10-27-9-12/h2-10H,26H2,1H3,(H,31,32)(H,28,29,30).

What are the key properties of 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone?

1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone has a molecular weight of 469.51 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[5-(5-amino-3-pyridinyl)-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 137135493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).