1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine

C16H20N4OS — CID 75506635

IUPAC1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine
SMILESCOCCn1nc(C)c(NCc2cnc3ccsc3c2)c1C
InChIInChI=1S/C16H20N4OS/c1-11-16(12(2)20(19-11)5-6-21-3)18-10-13-8-15-14(17-9-13)4-7-22-15/h4,7-9,18H,5-6,10H2,1-3H3
InChIKeyPLWZOTWQGKPGQX-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine

1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine (PubChem CID 75506635) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine
PubChem CID75506635
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine
SMILESCOCCn1nc(C)c(NCc2cnc3ccsc3c2)c1C
InChIInChI=1S/C16H20N4OS/c1-11-16(12(2)20(19-11)5-6-21-3)18-10-13-8-15-14(17-9-13)4-7-22-15/h4,7-9,18H,5-6,10H2,1-3H3
InChIKeyPLWZOTWQGKPGQX-UHFFFAOYSA-N
XLogP3.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine (CID 75506635) is 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine is COCCn1nc(C)c(NCc2cnc3ccsc3c2)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine?
The InChIKey is PLWZOTWQGKPGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-16(12(2)20(19-11)5-6-21-3)18-10-13-8-15-14(17-9-13)4-7-22-15/h4,7-9,18H,5-6,10H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine?
1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine has a molecular weight of 316.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,5-dimethyl-N-(thieno[3,2-b]pyridin-6-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 75506635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).