2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid

C30H28F3N5O5 — CID 67954538

About 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid

2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid (PubChem CID 67954538) has the molecular formula C30H28F3N5O5 and a molecular weight of 595.58 g/mol. Its IUPAC name is 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid
• PubChem CID: 67954538
• Molecular Formula: C30H28F3N5O5
• Molecular Weight: 595.58 g/mol
• Exact Mass: 595.20
• IUPAC Name: 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc(N5CCC(O)CC5)nc4)n[nH]c3c1)C(=O)N2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H27N5O3.C2HF3O2/c1-36-19-4-6-23-21(13-19)28(27(35)30-23)14-22(28)16-2-5-20-24(12-16)31-32-26(20)17-3-7-25(29-15-17)33-10-8-18(34)9-11-33;3-2(4,5)1(6)7/h2-7,12-13,15,18,22,34H,8-11,14H2,1H3,(H,30,35)(H,31,32);(H,6,7)
• InChIKey: MMOMHHOYRALZGG-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 140.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.58
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid?

The IUPAC name of 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid (CID 67954538) is 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid is COc1ccc2c(c1)C1(CC1c1ccc3c(-c4ccc(N5CCC(O)CC5)nc4)n[nH]c3c1)C(=O)N2.O=C(O)C(F)(F)F.

What is the InChIKey of 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid?

The InChIKey is MMOMHHOYRALZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3.C2HF3O2/c1-36-19-4-6-23-21(13-19)28(27(35)30-23)14-22(28)16-2-5-20-24(12-16)31-32-26(20)17-3-7-25(29-15-17)33-10-8-18(34)9-11-33;3-2(4,5)1(6)7/h2-7,12-13,15,18,22,34H,8-11,14H2,1H3,(H,30,35)(H,31,32);(H,6,7).

What are the key properties of 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid?

2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 595.58 g/mol, XLogP of 4.61, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[3-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67954538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).