N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide

C30H19FN8O2S — CID 137102064

About N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 137102064) has the molecular formula C30H19FN8O2S and a molecular weight of 574.60 g/mol. Its IUPAC name is N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 137102064
• Molecular Formula: C30H19FN8O2S
• Molecular Weight: 574.60 g/mol
• Exact Mass: 574.13
• IUPAC Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
• SMILES: CC(=O)c1ccc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)c7ccccc7)c6)c(F)c45)nc23)s1
• InChI: InChI=1S/C30H19FN8O2S/c1-15(40)21-7-8-22(42-21)19-9-10-33-28-26(19)36-29(37-28)27-23-20(38-39-27)14-34-25(24(23)31)17-11-18(13-32-12-17)35-30(41)16-5-3-2-4-6-16/h2-14H,1H3,(H,35,41)(H,38,39)(H,33,36,37)
• InChIKey: FRKNJZQRSDSKAW-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 142.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.60
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?

The IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide (CID 137102064) is N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?

The canonical SMILES for N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide is CC(=O)c1ccc(-c2ccnc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)c7ccccc7)c6)c(F)c45)nc23)s1.

What is the InChIKey of N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?

The InChIKey is FRKNJZQRSDSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19FN8O2S/c1-15(40)21-7-8-22(42-21)19-9-10-33-28-26(19)36-29(37-28)27-23-20(38-39-27)14-34-25(24(23)31)17-11-18(13-32-12-17)35-30(41)16-5-3-2-4-6-16/h2-14H,1H3,(H,35,41)(H,38,39)(H,33,36,37).

What are the key properties of N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide?

N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 574.60 g/mol, XLogP of 6.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 137102064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).