1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine

C21H24N4S — CID 135431571

IUPAC1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine
SMILESc1cc2[nH]nc(-c3cc4cc(CNCC5CCCCC5)ccc4[nH]3)c2s1
InChIInChI=1S/C21H24N4S/c1-2-4-14(5-3-1)12-22-13-15-6-7-17-16(10-15)11-19(23-17)20-21-18(24-25-20)8-9-26-21/h6-11,14,22-23H,1-5,12-13H2,(H,24,25)
InChIKeyKNHFJOIKBQUMAA-UHFFFAOYSA-N
MW364.52 g/mol
LogP5.44
Rot. Bonds5

About 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine

1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine (PubChem CID 135431571) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine
PubChem CID135431571
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine
SMILESc1cc2[nH]nc(-c3cc4cc(CNCC5CCCCC5)ccc4[nH]3)c2s1
InChIInChI=1S/C21H24N4S/c1-2-4-14(5-3-1)12-22-13-15-6-7-17-16(10-15)11-19(23-17)20-21-18(24-25-20)8-9-26-21/h6-11,14,22-23H,1-5,12-13H2,(H,24,25)
InChIKeyKNHFJOIKBQUMAA-UHFFFAOYSA-N
XLogP5.44
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.52
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine (CID 135431571) is 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine is c1cc2[nH]nc(-c3cc4cc(CNCC5CCCCC5)ccc4[nH]3)c2s1.
What is the InChIKey of 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine?
The InChIKey is KNHFJOIKBQUMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/c1-2-4-14(5-3-1)12-22-13-15-6-7-17-16(10-15)11-19(23-17)20-21-18(24-25-20)8-9-26-21/h6-11,14,22-23H,1-5,12-13H2,(H,24,25).
What are the key properties of 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine?
1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine has a molecular weight of 364.52 g/mol, XLogP of 5.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]methyl]methanamine is sourced from PubChem (CID 135431571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).