6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine

C18H24N4OS — CID 177202616

IUPAC6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine
SMILESCN.O=Cc1cc2ccc(N3CCC(N4CC5(CC5)C4)C3)nc2s1
InChIInChI=1S/C17H19N3OS.CH5N/c21-9-14-7-12-1-2-15(18-16(12)22-14)19-6-3-13(8-19)20-10-17(11-20)4-5-17;1-2/h1-2,7,9,13H,3-6,8,10-11H2;2H2,1H3
InChIKeyRCWCEMWWWZCWFT-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.36
Rot. Bonds3

About 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine

6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine (PubChem CID 177202616) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine.

Molecular Properties

Compound Name6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine
PubChem CID177202616
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine
SMILESCN.O=Cc1cc2ccc(N3CCC(N4CC5(CC5)C4)C3)nc2s1
InChIInChI=1S/C17H19N3OS.CH5N/c21-9-14-7-12-1-2-15(18-16(12)22-14)19-6-3-13(8-19)20-10-17(11-20)4-5-17;1-2/h1-2,7,9,13H,3-6,8,10-11H2;2H2,1H3
InChIKeyRCWCEMWWWZCWFT-UHFFFAOYSA-N
XLogP2.36
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine?
The IUPAC name of 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine (CID 177202616) is 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine.
What is the SMILES notation for 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine?
The canonical SMILES for 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine is CN.O=Cc1cc2ccc(N3CCC(N4CC5(CC5)C4)C3)nc2s1.
What is the InChIKey of 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine?
The InChIKey is RCWCEMWWWZCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS.CH5N/c21-9-14-7-12-1-2-15(18-16(12)22-14)19-6-3-13(8-19)20-10-17(11-20)4-5-17;1-2/h1-2,7,9,13H,3-6,8,10-11H2;2H2,1H3.
What are the key properties of 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine?
6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine has a molecular weight of 344.48 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-azaspiro[2.3]hexan-5-yl)pyrrolidin-1-yl]thieno[2,3-b]pyridine-2-carbaldehyde;methanamine is sourced from PubChem (CID 177202616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).