2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine

C29H25FN8 — CID 137135196

About 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine

2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137135196) 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]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137135196
• 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]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
• SMILES: Fc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4nccc(-c5cccnc5)c4[nH]3)c12
• InChI: InChI=1S/C29H25FN8/c30-25-21(20-13-18(14-32-16-20)17-38-11-2-1-3-12-38)6-7-23-24(25)27(37-36-23)29-34-26-22(8-10-33-28(26)35-29)19-5-4-9-31-15-19/h4-10,13-16H,1-3,11-12,17H2,(H,36,37)(H,33,34,35)
• InChIKey: OHUKCPLEPPVTQQ-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]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine (CID 137135196) is 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine is Fc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4nccc(-c5cccnc5)c4[nH]3)c12.

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

The InChIKey is OHUKCPLEPPVTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8/c30-25-21(20-13-18(14-32-16-20)17-38-11-2-1-3-12-38)6-7-23-24(25)27(37-36-23)29-34-26-22(8-10-33-28(26)35-29)19-5-4-9-31-15-19/h4-10,13-16H,1-3,11-12,17H2,(H,36,37)(H,33,34,35).

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

2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]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]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137135196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).