4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide

C18H20N4OS2 — CID 11952082

IUPAC4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESC[C@@H]1NCCC[C@H]1Nc1ncc(C(N)=O)c2sc(-c3ccsc3)cc12
InChIInChI=1S/C18H20N4OS2/c1-10-14(3-2-5-20-10)22-18-12-7-15(11-4-6-24-9-11)25-16(12)13(8-21-18)17(19)23/h4,6-10,14,20H,2-3,5H2,1H3,(H2,19,23)(H,21,22)/t10-,14+/m0/s1
InChIKeyWVOKPPDIUMMGBE-IINYFYTJSA-N
MW372.52 g/mol
LogP3.68
Rot. Bonds4

About 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide

4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 11952082) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID11952082
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC Name4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESC[C@@H]1NCCC[C@H]1Nc1ncc(C(N)=O)c2sc(-c3ccsc3)cc12
InChIInChI=1S/C18H20N4OS2/c1-10-14(3-2-5-20-10)22-18-12-7-15(11-4-6-24-9-11)25-16(12)13(8-21-18)17(19)23/h4,6-10,14,20H,2-3,5H2,1H3,(H2,19,23)(H,21,22)/t10-,14+/m0/s1
InChIKeyWVOKPPDIUMMGBE-IINYFYTJSA-N
XLogP3.68
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide (CID 11952082) is 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide is C[C@@H]1NCCC[C@H]1Nc1ncc(C(N)=O)c2sc(-c3ccsc3)cc12.
What is the InChIKey of 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is WVOKPPDIUMMGBE-IINYFYTJSA-N. The full InChI is InChI=1S/C18H20N4OS2/c1-10-14(3-2-5-20-10)22-18-12-7-15(11-4-6-24-9-11)25-16(12)13(8-21-18)17(19)23/h4,6-10,14,20H,2-3,5H2,1H3,(H2,19,23)(H,21,22)/t10-,14+/m0/s1.
What are the key properties of 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3R)-2-methylpiperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 11952082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).