3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride

C25H26ClN3 — CID 162332780

IUPAC3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride
SMILESCCc1nn(-c2ccccc2)c2cc(-c3ccc(C4CCNC4)cc3)ccc12.Cl
InChIInChI=1S/C25H25N3.ClH/c1-2-24-23-13-12-20(16-25(23)28(27-24)22-6-4-3-5-7-22)18-8-10-19(11-9-18)21-14-15-26-17-21;/h3-13,16,21,26H,2,14-15,17H2,1H3;1H
InChIKeyFPWKHHMXYFYYEZ-UHFFFAOYSA-N
MW403.96 g/mol
LogP5.75
Rot. Bonds4

About 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride

3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride (PubChem CID 162332780) has the molecular formula C25H26ClN3 and a molecular weight of 403.96 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride
PubChem CID162332780
Molecular FormulaC25H26ClN3
Molecular Weight403.96 g/mol
Exact Mass403.18
IUPAC Name3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride
SMILESCCc1nn(-c2ccccc2)c2cc(-c3ccc(C4CCNC4)cc3)ccc12.Cl
InChIInChI=1S/C25H25N3.ClH/c1-2-24-23-13-12-20(16-25(23)28(27-24)22-6-4-3-5-7-22)18-8-10-19(11-9-18)21-14-15-26-17-21;/h3-13,16,21,26H,2,14-15,17H2,1H3;1H
InChIKeyFPWKHHMXYFYYEZ-UHFFFAOYSA-N
XLogP5.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.96
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole
CID 58483583
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1-phenylindazole
CID 53379388
3-ethyl-1-phenyl-6-(4-piperazin-1-ylpiperidin-1-yl)indazole;hydrochloride
CID 67448706
3-ethyl-1-phenyl-6-(3-piperazin-1-ylpyrrolidin-1-yl)indazole
CID 58483601
ethane;3-phenylpyrrolidine
CID 91032726
3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine
CID 82297925
9-ethyl-3-pyrrolidin-3-ylcarbazole
CID 117415894
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621
N-(3-methylsulfanyl-1-phenylindazol-6-yl)piperidine-3-carboxamide;hydrochloride
CID 67446765
4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
CID 174757890
4-(4-ethyl-1,5-diphenylpyrazol-3-yl)piperidine
CID 177339507

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride?
The IUPAC name of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride (CID 162332780) is 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride?
The canonical SMILES for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride is CCc1nn(-c2ccccc2)c2cc(-c3ccc(C4CCNC4)cc3)ccc12.Cl.
What is the InChIKey of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride?
The InChIKey is FPWKHHMXYFYYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3.ClH/c1-2-24-23-13-12-20(16-25(23)28(27-24)22-6-4-3-5-7-22)18-8-10-19(11-9-18)21-14-15-26-17-21;/h3-13,16,21,26H,2,14-15,17H2,1H3;1H.
What are the key properties of 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride?
3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride has a molecular weight of 403.96 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride is sourced from PubChem (CID 162332780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).