2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine

C29H25FN8 — CID 136936483

About 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine

2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136936483) has the molecular formula C29H25FN8 and a molecular weight of 504.57 g/mol. Its IUPAC name is 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 136936483
• Molecular Formula: C29H25FN8
• Molecular Weight: 504.57 g/mol
• Exact Mass: 504.22
• IUPAC Name: 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
• SMILES: Fc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccccn5)nccc4[nH]3)c12
• InChI: InChI=1S/C29H25FN8/c30-25-20(19-14-18(15-31-16-19)17-38-12-4-1-5-13-38)7-8-21-24(25)28(37-36-21)29-34-23-9-11-33-26(27(23)35-29)22-6-2-3-10-32-22/h2-3,6-11,14-16H,1,4-5,12-13,17H2,(H,34,35)(H,36,37)
• InChIKey: YPRCATHKCHSRIG-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.57
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (CID 136936483) is 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is Fc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccccn5)nccc4[nH]3)c12.

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

The InChIKey is YPRCATHKCHSRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8/c30-25-20(19-14-18(15-31-16-19)17-38-12-4-1-5-13-38)7-8-21-24(25)28(37-36-21)29-34-23-9-11-33-26(27(23)35-29)22-6-2-3-10-32-22/h2-3,6-11,14-16H,1,4-5,12-13,17H2,(H,34,35)(H,36,37).

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

2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 504.57 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).