6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole

C21H24N4 — CID 53379388

IUPAC6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CC4CNCC4C3)ccc12
InChIInChI=1S/C21H24N4/c1-2-20-19-9-8-18(24-13-15-11-22-12-16(15)14-24)10-21(19)25(23-20)17-6-4-3-5-7-17/h3-10,15-16,22H,2,11-14H2,1H3
InChIKeyJRGJWNYNELQBIY-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.24
Rot. Bonds3

About 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole

6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole (PubChem CID 53379388) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole.

Molecular Properties

Compound Name6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole
PubChem CID53379388
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole
SMILESCCc1nn(-c2ccccc2)c2cc(N3CC4CNCC4C3)ccc12
InChIInChI=1S/C21H24N4/c1-2-20-19-9-8-18(24-13-15-11-22-12-16(15)14-24)10-21(19)25(23-20)17-6-4-3-5-7-17/h3-10,15-16,22H,2,11-14H2,1H3
InChIKeyJRGJWNYNELQBIY-UHFFFAOYSA-N
XLogP3.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
CID 53379389
3-ethyl-1-phenyl-6-(piperazin-1-yl)-1H-indazole
CID 56670165
6-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methylsulfanyl-1-phenylindazole
CID 56673627
3-Ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 56683648
3-Ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
CID 56683649
N-(cyclohexylmethyl)-2-(1H-indazol-3-yl)-1H-indol-6-amine
CID 136030745
3-Ethyl-6-(4-methylpiperazin-1-yl)-1-phenylindazole
CID 56663311
3-Ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
CID 56666739
3-methyl-1-phenyl-6-(piperazin-1-yl)-1H-indazole
CID 56677001
3-Methyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole
CID 56680333
1-(3-Methyl-1-phenylindazol-6-yl)pyrrolidin-3-amine
CID 58483574
3-Methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
CID 58483614

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole?
The IUPAC name of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole (CID 53379388) is 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole.
What is the SMILES notation for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole?
The canonical SMILES for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole is CCc1nn(-c2ccccc2)c2cc(N3CC4CNCC4C3)ccc12.
What is the InChIKey of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole?
The InChIKey is JRGJWNYNELQBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-20-19-9-8-18(24-13-15-11-22-12-16(15)14-24)10-21(19)25(23-20)17-6-4-3-5-7-17/h3-10,15-16,22H,2,11-14H2,1H3.
What are the key properties of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole?
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole has a molecular weight of 332.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole is sourced from PubChem (CID 53379388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).