3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)

C30H29F10N7O9 — CID 73099451

IUPAC3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2Cc1cccnc1)c1nc(-c2ccc(F)cc2)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26FN7O3.3C2HF3O2/c25-19-5-3-18(4-6-19)20-29-22(35-30-20)21(33)27-10-13-31-11-7-24(8-12-31)23(34)28-16-32(24)15-17-2-1-9-26-14-17;3*3-2(4,5)1(6)7/h1-6,9,14H,7-8,10-13,15-16H2,(H,27,33)(H,28,34);3*(H,6,7)
InChIKeyJRHGNHZSSZFWNJ-UHFFFAOYSA-N
MW821.58 g/mol
LogP3.32
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)

3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid) (PubChem CID 73099451) has the molecular formula C30H29F10N7O9 and a molecular weight of 821.58 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)
PubChem CID73099451
Molecular FormulaC30H29F10N7O9
Molecular Weight821.58 g/mol
Exact Mass821.19
IUPAC Name3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2Cc1cccnc1)c1nc(-c2ccc(F)cc2)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H26FN7O3.3C2HF3O2/c25-19-5-3-18(4-6-19)20-29-22(35-30-20)21(33)27-10-13-31-11-7-24(8-12-31)23(34)28-16-32(24)15-17-2-1-9-26-14-17;3*3-2(4,5)1(6)7/h1-6,9,14H,7-8,10-13,15-16H2,(H,27,33)(H,28,34);3*(H,6,7)
InChIKeyJRHGNHZSSZFWNJ-UHFFFAOYSA-N
XLogP3.32
TPSA228.39 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.58
LogP ≤ 53.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
CID 73099379
N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-4-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 73099394
3-amino-4,5,6-trimethyl-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 73099478
3-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581866
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 6625714
N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 46939675
N-[2-[1-(5-bromo-3-pyridinyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73099472
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53470020
2,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 56593077
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
N-[2-[1-(2-fluoro-4-pyridinyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73099340
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083936

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid) (CID 73099451) is 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid) is O=C(NCCN1CCC2(CC1)C(=O)NCN2Cc1cccnc1)c1nc(-c2ccc(F)cc2)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is JRHGNHZSSZFWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3.3C2HF3O2/c25-19-5-3-18(4-6-19)20-29-22(35-30-20)21(33)27-10-13-31-11-7-24(8-12-31)23(34)28-16-32(24)15-17-2-1-9-26-14-17;3*3-2(4,5)1(6)7/h1-6,9,14H,7-8,10-13,15-16H2,(H,27,33)(H,28,34);3*(H,6,7).
What are the key properties of 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid)?
3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 821.58 g/mol, XLogP of 3.32, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 73099451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).