3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

C15H18N4 — CID 110540148

IUPAC3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCN1CCC2=NNC(c3c[nH]c4ccccc34)C2C1
InChIInChI=1S/C15H18N4/c1-19-7-6-14-12(9-19)15(18-17-14)11-8-16-13-5-3-2-4-10(11)13/h2-5,8,12,15-16,18H,6-7,9H2,1H3
InChIKeyYWNZYGQRGPHTRB-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.12
Rot. Bonds1

About 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110540148) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110540148
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCN1CCC2=NNC(c3c[nH]c4ccccc34)C2C1
InChIInChI=1S/C15H18N4/c1-19-7-6-14-12(9-19)15(18-17-14)11-8-16-13-5-3-2-4-10(11)13/h2-5,8,12,15-16,18H,6-7,9H2,1H3
InChIKeyYWNZYGQRGPHTRB-UHFFFAOYSA-N
XLogP2.12
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
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3-(3-methylpiperazin-2-yl)-1H-indole
CID 116829242
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 144805141
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole
CID 13070747
(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
CID 10376523
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
CID 112742433
methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110540148) is 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is CN1CCC2=NNC(c3c[nH]c4ccccc34)C2C1.
What is the InChIKey of 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is YWNZYGQRGPHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-19-7-6-14-12(9-19)15(18-17-14)11-8-16-13-5-3-2-4-10(11)13/h2-5,8,12,15-16,18H,6-7,9H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 254.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110540148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).