1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

C17H21ClN4 — CID 90484170

IUPAC1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCCn1cc(C2NCCc3c2[nH]c2ccc(C)cc32)cn1.Cl
InChIInChI=1S/C17H20N4.ClH/c1-3-21-10-12(9-19-21)16-17-13(6-7-18-16)14-8-11(2)4-5-15(14)20-17;/h4-5,8-10,16,18,20H,3,6-7H2,1-2H3;1H
InChIKeyJLANTLXJUBXIQS-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.35
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 90484170) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
PubChem CID90484170
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCCn1cc(C2NCCc3c2[nH]c2ccc(C)cc32)cn1.Cl
InChIInChI=1S/C17H20N4.ClH/c1-3-21-10-12(9-19-21)16-17-13(6-7-18-16)14-8-11(2)4-5-15(14)20-17;/h4-5,8-10,16,18,20H,3,6-7H2,1-2H3;1H
InChIKeyJLANTLXJUBXIQS-UHFFFAOYSA-N
XLogP3.35
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (CID 90484170) is 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is CCn1cc(C2NCCc3c2[nH]c2ccc(C)cc32)cn1.Cl.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is JLANTLXJUBXIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4.ClH/c1-3-21-10-12(9-19-21)16-17-13(6-7-18-16)14-8-11(2)4-5-15(14)20-17;/h4-5,8-10,16,18,20H,3,6-7H2,1-2H3;1H.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 316.84 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 90484170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).