2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine

C29H24FN5OS — CID 154514477

About 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 154514477) has the molecular formula C29H24FN5OS and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
• PubChem CID: 154514477
• Molecular Formula: C29H24FN5OS
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.17
• IUPAC Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
• SMILES: Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)s1
• InChI: InChI=1S/C29H24FN5OS/c30-28-9-8-27(37-28)23-15-32-16-26-21(23)12-25(33-26)29-22-11-17(6-7-24(22)34-35-29)18-10-20(14-31-13-18)36-19-4-2-1-3-5-19/h6-16,19,33H,1-5H2,(H,34,35)
• InChIKey: IQSGZCGJBZPTSK-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?

The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine (CID 154514477) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine.

What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?

The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine is Fc1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)s1.

What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?

The InChIKey is IQSGZCGJBZPTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5OS/c30-28-9-8-27(37-28)23-15-32-16-26-21(23)12-25(33-26)29-22-11-17(6-7-24(22)34-35-29)18-10-20(14-31-13-18)36-19-4-2-1-3-5-19/h6-16,19,33H,1-5H2,(H,34,35).

What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 509.61 g/mol, XLogP of 7.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 154514477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).