[1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

C24H30F3N5O3 — CID 155857128

IUPAC[1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCn1cncc1CN1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H29N5O.C2HF3O2/c1-24-17-23-14-18(24)15-25-12-8-22(9-13-25)16-27(20-7-3-2-6-19(20)22)21(28)26-10-4-5-11-26;3-2(4,5)1(6)7/h2-3,6-7,14,17H,4-5,8-13,15-16H2,1H3;(H,6,7)
InChIKeyBAKUWUPUFBOCAQ-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.62
Rot. Bonds2

About [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

[1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155857128) has the molecular formula C24H30F3N5O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155857128
Molecular FormulaC24H30F3N5O3
Molecular Weight493.53 g/mol
Exact Mass493.23
IUPAC Name[1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCn1cncc1CN1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H29N5O.C2HF3O2/c1-24-17-23-14-18(24)15-25-12-8-22(9-13-25)16-27(20-7-3-2-6-19(20)22)21(28)26-10-4-5-11-26;3-2(4,5)1(6)7/h2-3,6-7,14,17H,4-5,8-13,15-16H2,1H3;(H,6,7)
InChIKeyBAKUWUPUFBOCAQ-UHFFFAOYSA-N
XLogP3.62
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;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

7-[(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155835518
2-[1'-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 171689875
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
10,10-difluoro-8-[(3-methylimidazol-4-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155858268
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 67540864
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 11151925
(2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 59004054
[1'-(cyclopentylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid
CID 155830913
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209

Frequently Asked Questions

What is the IUPAC name of [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 155857128) is [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is Cn1cncc1CN1CCC2(CC1)CN(C(=O)N1CCCC1)c1ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is BAKUWUPUFBOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O.C2HF3O2/c1-24-17-23-14-18(24)15-25-12-8-22(9-13-25)16-27(20-7-3-2-6-19(20)22)21(28)26-10-4-5-11-26;3-2(4,5)1(6)7/h2-3,6-7,14,17H,4-5,8-13,15-16H2,1H3;(H,6,7).
What are the key properties of [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
[1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 493.53 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-[(3-methylimidazol-4-yl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).