N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

C34H32FN7O2 — CID 145036282

About N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (PubChem CID 145036282) has the molecular formula C34H32FN7O2 and a molecular weight of 589.68 g/mol. Its IUPAC name is N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
• PubChem CID: 145036282
• Molecular Formula: C34H32FN7O2
• Molecular Weight: 589.68 g/mol
• Exact Mass: 589.26
• IUPAC Name: N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
• SMILES: CC1=CC=C(c2cc(O)cc(F)c2)c2nc(-c3n[nH]c4ccc(-c5cncc(NC(=O)CC6CCNCC6)c5)cc34)[nH]c2C1
• InChI: InChI=1S/C34H32FN7O2/c1-19-2-4-27(22-12-24(35)16-26(43)14-22)32-30(10-19)39-34(40-32)33-28-15-21(3-5-29(28)41-42-33)23-13-25(18-37-17-23)38-31(44)11-20-6-8-36-9-7-20/h2-5,12-18,20,36,43H,6-11H2,1H3,(H,38,44)(H,39,40)(H,41,42)
• InChIKey: WTAHIJGUFMRMOX-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 131.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.68
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The IUPAC name of N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (CID 145036282) is N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

What is the SMILES notation for N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The canonical SMILES for N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is CC1=CC=C(c2cc(O)cc(F)c2)c2nc(-c3n[nH]c4ccc(-c5cncc(NC(=O)CC6CCNCC6)c5)cc34)[nH]c2C1.

What is the InChIKey of N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The InChIKey is WTAHIJGUFMRMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN7O2/c1-19-2-4-27(22-12-24(35)16-26(43)14-22)32-30(10-19)39-34(40-32)33-28-15-21(3-5-29(28)41-42-33)23-13-25(18-37-17-23)38-31(44)11-20-6-8-36-9-7-20/h2-5,12-18,20,36,43H,6-11H2,1H3,(H,38,44)(H,39,40)(H,41,42).

What are the key properties of N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide has a molecular weight of 589.68 g/mol, XLogP of 6.12, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[8-(3-fluoro-5-hydroxyphenyl)-5-methyl-3,4-dihydrocyclohepta[d]imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 145036282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).