5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine

C29H26FN9S — CID 145037218

About 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine

5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine (PubChem CID 145037218) has the molecular formula C29H26FN9S and a molecular weight of 551.66 g/mol. Its IUPAC name is 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine
• PubChem CID: 145037218
• Molecular Formula: C29H26FN9S
• Molecular Weight: 551.66 g/mol
• Exact Mass: 551.20
• IUPAC Name: 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine
• SMILES: C=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(F)s6)cncc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C29H26FN9S/c1-16(8-17-4-6-31-7-5-17)35-19-9-18(11-32-12-19)22-10-20-23(15-34-22)38-39-28(20)29-36-24-14-33-13-21(27(24)37-29)25-2-3-26(30)40-25/h2-3,9-15,17,31,35H,1,4-8H2,(H,36,37)(H,38,39)
• InChIKey: ZDTQOSZWEBGDAI-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 120.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.66
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine?

The IUPAC name of 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine (CID 145037218) is 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine.

What is the SMILES notation for 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine?

The canonical SMILES for 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine is C=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccc(F)s6)cncc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine?

The InChIKey is ZDTQOSZWEBGDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN9S/c1-16(8-17-4-6-31-7-5-17)35-19-9-18(11-32-12-19)22-10-20-23(15-34-22)38-39-28(20)29-36-24-14-33-13-21(27(24)37-29)25-2-3-26(30)40-25/h2-3,9-15,17,31,35H,1,4-8H2,(H,36,37)(H,38,39).

What are the key properties of 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine?

5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine has a molecular weight of 551.66 g/mol, XLogP of 6.14, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(3-piperidin-4-ylprop-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145037218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).