4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C14H18N4OS — CID 51084982

IUPAC4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C14H18N4OS/c1-2-12-11-5-8-20-13(11)4-7-18(12)14(19)15-9-10-3-6-16-17-10/h3,5-6,8,12H,2,4,7,9H2,1H3,(H,15,19)(H,16,17)
InChIKeyJZWCYDAZDDNNMW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.69
Rot. Bonds3

About 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 51084982) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID51084982
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C14H18N4OS/c1-2-12-11-5-8-20-13(11)4-7-18(12)14(19)15-9-10-3-6-16-17-10/h3,5-6,8,12H,2,4,7,9H2,1H3,(H,15,19)(H,16,17)
InChIKeyJZWCYDAZDDNNMW-UHFFFAOYSA-N
XLogP2.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 51084982) is 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCC1c2ccsc2CCN1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is JZWCYDAZDDNNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-12-11-5-8-20-13(11)4-7-18(12)14(19)15-9-10-3-6-16-17-10/h3,5-6,8,12H,2,4,7,9H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 51084982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).