[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid

C23H27F3N4O3 — CID 155857695

IUPAC[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(CC2CC2)c2ccccc23)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26N4O.C2HF3O2/c1-15-12-18(23-22-15)20(26)24-10-8-21(9-11-24)14-25(13-16-6-7-16)19-5-3-2-4-17(19)21;3-2(4,5)1(6)7/h2-5,12,16H,6-11,13-14H2,1H3,(H,22,23);(H,6,7)
InChIKeyVOMHKWRLUZRWAN-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.76
Rot. Bonds3

About [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid

[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155857695) has the molecular formula C23H27F3N4O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155857695
Molecular FormulaC23H27F3N4O3
Molecular Weight464.49 g/mol
Exact Mass464.20
IUPAC Name[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(CC2CC2)c2ccccc23)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H26N4O.C2HF3O2/c1-15-12-18(23-22-15)20(26)24-10-8-21(9-11-24)14-25(13-16-6-7-16)19-5-3-2-4-17(19)21;3-2(4,5)1(6)7/h2-5,12,16H,6-11,13-14H2,1H3,(H,22,23);(H,6,7)
InChIKeyVOMHKWRLUZRWAN-UHFFFAOYSA-N
XLogP3.76
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1'-(5-methyl-1H-pyrazole-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetonitrile
CID 97400033
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56905411
[1-(oxolan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-pyridin-3-ylmethanone
CID 134078028
1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 155834622
8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72900384
2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70714171
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
3-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75473604
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70764751
4-[[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889323

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 155857695) is [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid is Cc1cc(C(=O)N2CCC3(CC2)CN(CC2CC2)c2ccccc23)n[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is VOMHKWRLUZRWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O.C2HF3O2/c1-15-12-18(23-22-15)20(26)24-10-8-21(9-11-24)14-25(13-16-6-7-16)19-5-3-2-4-17(19)21;3-2(4,5)1(6)7/h2-5,12,16H,6-11,13-14H2,1H3,(H,22,23);(H,6,7).
What are the key properties of [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid?
[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 464.49 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).