piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone

C24H27F3N8O — CID 70991492

IUPACpiperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone
SMILESO=C(c1ccc2c(c1)C(C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CN2)N1CCNCC1
InChIInChI=1S/C24H27F3N8O/c25-24(26,27)23-31-30-20-3-4-21(32-35(20)23)33-9-5-15(6-10-33)18-14-29-19-2-1-16(13-17(18)19)22(36)34-11-7-28-8-12-34/h1-4,13,15,18,28-29H,5-12,14H2
InChIKeyUEWFZNPNVUAKTB-UHFFFAOYSA-N
MW500.53 g/mol
LogP2.61
Rot. Bonds3

About piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone

piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone (PubChem CID 70991492) has the molecular formula C24H27F3N8O and a molecular weight of 500.53 g/mol. Its IUPAC name is piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone
PubChem CID70991492
Molecular FormulaC24H27F3N8O
Molecular Weight500.53 g/mol
Exact Mass500.23
IUPAC Namepiperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone
SMILESO=C(c1ccc2c(c1)C(C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CN2)N1CCNCC1
InChIInChI=1S/C24H27F3N8O/c25-24(26,27)23-31-30-20-3-4-21(32-35(20)23)33-9-5-15(6-10-33)18-14-29-19-2-1-16(13-17(18)19)22(36)34-11-7-28-8-12-34/h1-4,13,15,18,28-29H,5-12,14H2
InChIKeyUEWFZNPNVUAKTB-UHFFFAOYSA-N
XLogP2.61
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone 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

4-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1H-indole-5-carbonyl]piperazine-1-carboxylic acid
CID 86638081
4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]benzoic acid
CID 67340981
5-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]pyrazolidin-3-amine
CID 133349674
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340307
N-pyridin-4-yl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 17472942
1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone
CID 35919133
6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149727
N-propan-2-yl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 17451047
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol
CID 67340864
6-(4-pyridin-3-ylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149830
N-methyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]acetamide
CID 51301192
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 26017747

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone?
The IUPAC name of piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone (CID 70991492) is piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone?
The canonical SMILES for piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone is O=C(c1ccc2c(c1)C(C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CN2)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone?
The InChIKey is UEWFZNPNVUAKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O/c25-24(26,27)23-31-30-20-3-4-21(32-35(20)23)33-9-5-15(6-10-33)18-14-29-19-2-1-16(13-17(18)19)22(36)34-11-7-28-8-12-34/h1-4,13,15,18,28-29H,5-12,14H2.
What are the key properties of piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone?
piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone has a molecular weight of 500.53 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-2,3-dihydro-1H-indol-5-yl]methanone is sourced from PubChem (CID 70991492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).