2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C26H26F3N5O4 — CID 130301843

IUPAC2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2CC(=O)NCC(F)(F)F
InChIInChI=1S/C26H26F3N5O4/c1-2-38-20-5-3-4-19-22(20)25(24(37)34(19)14-21(35)30-15-26(27,28)29)8-10-33(11-9-25)23(36)16-6-7-18-17(12-16)13-31-32-18/h3-7,12-13H,2,8-11,14-15H2,1H3,(H,30,35)(H,31,32)
InChIKeyGYGVWNATFKDMFR-UHFFFAOYSA-N
MW529.52 g/mol
LogP3.16
Rot. Bonds6

About 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 130301843) has the molecular formula C26H26F3N5O4 and a molecular weight of 529.52 g/mol. Its IUPAC name is 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID130301843
Molecular FormulaC26H26F3N5O4
Molecular Weight529.52 g/mol
Exact Mass529.19
IUPAC Name2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2CC(=O)NCC(F)(F)F
InChIInChI=1S/C26H26F3N5O4/c1-2-38-20-5-3-4-19-22(20)25(24(37)34(19)14-21(35)30-15-26(27,28)29)8-10-33(11-9-25)23(36)16-6-7-18-17(12-16)13-31-32-18/h3-7,12-13H,2,8-11,14-15H2,1H3,(H,30,35)(H,31,32)
InChIKeyGYGVWNATFKDMFR-UHFFFAOYSA-N
XLogP3.16
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 130301843) is 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCOc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GYGVWNATFKDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O4/c1-2-38-20-5-3-4-19-22(20)25(24(37)34(19)14-21(35)30-15-26(27,28)29)8-10-33(11-9-25)23(36)16-6-7-18-17(12-16)13-31-32-18/h3-7,12-13H,2,8-11,14-15H2,1H3,(H,30,35)(H,31,32).
What are the key properties of 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 529.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 130301843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).