3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione

C19H24N4O2S — CID 178017758

IUPAC3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCCSNCC3)cc21
InChIInChI=1S/C19H24N4O2S/c1-23-16-11-13(12-3-2-10-26-20-9-8-12)4-5-14(16)18(22-23)15-6-7-17(24)21-19(15)25/h4-5,11-12,15,20H,2-3,6-10H2,1H3,(H,21,24,25)
InChIKeyORTPZCLVXOWWPI-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.60
Rot. Bonds2

About 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione (PubChem CID 178017758) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione
PubChem CID178017758
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCCSNCC3)cc21
InChIInChI=1S/C19H24N4O2S/c1-23-16-11-13(12-3-2-10-26-20-9-8-12)4-5-14(16)18(22-23)15-6-7-17(24)21-19(15)25/h4-5,11-12,15,20H,2-3,6-10H2,1H3,(H,21,24,25)
InChIKeyORTPZCLVXOWWPI-UHFFFAOYSA-N
XLogP2.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430
3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432767
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
3-[6-[1-[(4-aminocyclohexyl)methyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172590483
3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
CID 178161203
3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911893
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552
tert-butyl (2S,4S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 170617163
3-[6-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911942

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione (CID 178017758) is 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCCSNCC3)cc21.
What is the InChIKey of 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione?
The InChIKey is ORTPZCLVXOWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-23-16-11-13(12-3-2-10-26-20-9-8-12)4-5-14(16)18(22-23)15-6-7-17(24)21-19(15)25/h4-5,11-12,15,20H,2-3,6-10H2,1H3,(H,21,24,25).
What are the key properties of 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione has a molecular weight of 372.49 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 178017758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).