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

C24H22F3N5O4 — CID 130301845

IUPAC2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c(O)cccc21)NCC(F)(F)F
InChIInChI=1S/C24H22F3N5O4/c25-24(26,27)13-28-19(34)12-32-17-2-1-3-18(33)20(17)23(22(32)36)6-8-31(9-7-23)21(35)14-4-5-16-15(10-14)11-29-30-16/h1-5,10-11,33H,6-9,12-13H2,(H,28,34)(H,29,30)
InChIKeyFMJFJMXIPLNPAN-UHFFFAOYSA-N
MW501.47 g/mol
LogP2.47
Rot. Bonds4

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

2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 130301845) has the molecular formula C24H22F3N5O4 and a molecular weight of 501.47 g/mol. Its IUPAC name is 2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID130301845
Molecular FormulaC24H22F3N5O4
Molecular Weight501.47 g/mol
Exact Mass501.16
IUPAC Name2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c(O)cccc21)NCC(F)(F)F
InChIInChI=1S/C24H22F3N5O4/c25-24(26,27)13-28-19(34)12-32-17-2-1-3-18(33)20(17)23(22(32)36)6-8-31(9-7-23)21(35)14-4-5-16-15(10-14)11-29-30-16/h1-5,10-11,33H,6-9,12-13H2,(H,28,34)(H,29,30)
InChIKeyFMJFJMXIPLNPAN-UHFFFAOYSA-N
XLogP2.47
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.47
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-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-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 130301845) is 2-[4-hydroxy-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-hydroxy-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-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4c3)CC2)c2c(O)cccc21)NCC(F)(F)F.
What is the InChIKey of 2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FMJFJMXIPLNPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O4/c25-24(26,27)13-28-19(34)12-32-17-2-1-3-18(33)20(17)23(22(32)36)6-8-31(9-7-23)21(35)14-4-5-16-15(10-14)11-29-30-16/h1-5,10-11,33H,6-9,12-13H2,(H,28,34)(H,29,30).
What are the key properties of 2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 501.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 130301845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).