N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C29H25FN8O — CID 145035855

About N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 145035855) has the molecular formula C29H25FN8O and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 145035855
• Molecular Formula: C29H25FN8O
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.21
• IUPAC Name: N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(NC(=O)C7CCCC7)c6)cc45)nc23)cn1
• InChI: InChI=1S/C29H25FN8O/c1-16-14-38(15-32-16)25-8-4-7-23-27(25)35-28(34-23)26-21-10-20(22(30)11-24(21)36-37-26)18-9-19(13-31-12-18)33-29(39)17-5-2-3-6-17/h4,7-15,17H,2-3,5-6H2,1H3,(H,33,39)(H,34,35)(H,36,37)
• InChIKey: CWLIAUZZWNZPJW-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 117.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The IUPAC name of N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 145035855) is N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The canonical SMILES for N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(NC(=O)C7CCCC7)c6)cc45)nc23)cn1.

What is the InChIKey of N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The InChIKey is CWLIAUZZWNZPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8O/c1-16-14-38(15-32-16)25-8-4-7-23-27(25)35-28(34-23)26-21-10-20(22(30)11-24(21)36-37-26)18-9-19(13-31-12-18)33-29(39)17-5-2-3-6-17/h4,7-15,17H,2-3,5-6H2,1H3,(H,33,39)(H,34,35)(H,36,37).

What are the key properties of N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 520.57 g/mol, XLogP of 5.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 145035855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).