2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine

C24H28FN9 — CID 136938264

About 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine

2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136938264) has the molecular formula C24H28FN9 and a molecular weight of 461.55 g/mol. Its IUPAC name is 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136938264
• Molecular Formula: C24H28FN9
• Molecular Weight: 461.55 g/mol
• Exact Mass: 461.25
• IUPAC Name: 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
• SMILES: CN1CCN(c2nccc3[nH]c(-c4[nH]nc(-c5cncc(CN6CCCC6)c5)c4F)nc23)CC1
• InChI: InChI=1S/C24H28FN9/c1-32-8-10-34(11-9-32)24-21-18(4-5-27-24)28-23(29-21)22-19(25)20(30-31-22)17-12-16(13-26-14-17)15-33-6-2-3-7-33/h4-5,12-14H,2-3,6-11,15H2,1H3,(H,28,29)(H,30,31)
• InChIKey: MEOONTAZRMUDSD-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 92.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.55
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine (CID 136938264) is 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine is CN1CCN(c2nccc3[nH]c(-c4[nH]nc(-c5cncc(CN6CCCC6)c5)c4F)nc23)CC1.

What is the InChIKey of 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?

The InChIKey is MEOONTAZRMUDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN9/c1-32-8-10-34(11-9-32)24-21-18(4-5-27-24)28-23(29-21)22-19(25)20(30-31-22)17-12-16(13-26-14-17)15-33-6-2-3-7-33/h4-5,12-14H,2-3,6-11,15H2,1H3,(H,28,29)(H,30,31).

What are the key properties of 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?

2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 461.55 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazol-5-yl]-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136938264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).