3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine

C20H24N4O2S — CID 172582541

IUPAC3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine
SMILESC/N=C/c1cc(-c2ccc3ccsc3n2)cnc1N.COCC1CC(O)C1
InChIInChI=1S/C14H12N4S.C6H12O2/c1-16-7-11-6-10(8-17-13(11)15)12-3-2-9-4-5-19-14(9)18-12;1-8-4-5-2-6(7)3-5/h2-8H,1H3,(H2,15,17);5-7H,2-4H2,1H3/b16-7+;
InChIKeyPXJNXWDXQVEVEA-OYXUYBEVSA-N
MW384.51 g/mol
LogP3.39
Rot. Bonds4

About 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine

3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine (PubChem CID 172582541) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine
PubChem CID172582541
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine
SMILESC/N=C/c1cc(-c2ccc3ccsc3n2)cnc1N.COCC1CC(O)C1
InChIInChI=1S/C14H12N4S.C6H12O2/c1-16-7-11-6-10(8-17-13(11)15)12-3-2-9-4-5-19-14(9)18-12;1-8-4-5-2-6(7)3-5/h2-8H,1H3,(H2,15,17);5-7H,2-4H2,1H3/b16-7+;
InChIKeyPXJNXWDXQVEVEA-OYXUYBEVSA-N
XLogP3.39
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-(6-Amino-3-pyridinyl)-2-(3-methoxypropylsulfanyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 153596850
6-(6-Amino-3-pyridinyl)-2-(2-methoxyethylsulfanyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 153596989
6-[6-Amino-5-(methyliminomethyl)-3-pyridinyl]-2-(3-methoxypropylsulfanyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 153597073
[6-[6-Amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-(3,3-difluorocyclobutyl)methanediol;ethane
CID 172582259
5-[2-[(3,3-Difluorocyclobutyl)methyl]-3-methylthieno[2,3-b]pyridin-6-yl]-3-(methyliminomethyl)pyridin-2-amine;methanol
CID 172582273
2-[6-[6-Amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-1,1,1-trifluoro-4-methoxybutan-2-ol
CID 172582296
5-[2-[(4,4-Difluorocyclohexyl)methyl]thieno[2,3-b]pyridin-6-yl]-3-(methyliminomethyl)pyridin-2-amine;methanol
CID 172582333
5-[2-[(4,4-Difluorocyclohexyl)methyl]thieno[2,3-b]pyridin-6-yl]-3-(methyliminomethyl)pyridin-2-amine
CID 172582334
[6-[6-Amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-(4,4-difluorocyclohexyl)methanol
CID 172582341
1-[6-[6-Amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-3-fluorocyclobutan-1-ol
CID 172582348
[2-[6-Amino-5-(methyliminomethyl)-3-pyridinyl]thieno[2,3-b]pyrazin-6-yl]-(3,3-difluorocyclobutyl)methanol
CID 172582354
5-[2-[(3,3-Difluorocyclobutyl)methyl]thieno[2,3-b]pyridin-6-yl]-3-(propan-2-yliminomethyl)pyridin-2-amine;methanol
CID 172582367

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine?
The IUPAC name of 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine (CID 172582541) is 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine.
What is the SMILES notation for 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine?
The canonical SMILES for 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine is C/N=C/c1cc(-c2ccc3ccsc3n2)cnc1N.COCC1CC(O)C1.
What is the InChIKey of 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine?
The InChIKey is PXJNXWDXQVEVEA-OYXUYBEVSA-N. The full InChI is InChI=1S/C14H12N4S.C6H12O2/c1-16-7-11-6-10(8-17-13(11)15)12-3-2-9-4-5-19-14(9)18-12;1-8-4-5-2-6(7)3-5/h2-8H,1H3,(H2,15,17);5-7H,2-4H2,1H3/b16-7+;.
What are the key properties of 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine?
3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine has a molecular weight of 384.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)cyclobutan-1-ol;3-(methyliminomethyl)-5-thieno[2,3-b]pyridin-6-ylpyridin-2-amine is sourced from PubChem (CID 172582541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).