2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C21H20N4OS2 — CID 52947335

IUPAC2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4sccc4c3)sc12
InChIInChI=1S/C21H20N4OS2/c22-20(26)16-11-24-21(25-14-2-1-6-23-10-14)15-9-18(28-19(15)16)12-3-4-17-13(8-12)5-7-27-17/h3-5,7-9,11,14,23H,1-2,6,10H2,(H2,22,26)(H,24,25)/t14-/m0/s1
InChIKeyWDVGWSZBYFZUQJ-AWEZNQCLSA-N
MW408.55 g/mol
LogP4.44
Rot. Bonds4

About 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52947335) has the molecular formula C21H20N4OS2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52947335
Molecular FormulaC21H20N4OS2
Molecular Weight408.55 g/mol
Exact Mass408.11
IUPAC Name2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4sccc4c3)sc12
InChIInChI=1S/C21H20N4OS2/c22-20(26)16-11-24-21(25-14-2-1-6-23-10-14)15-9-18(28-19(15)16)12-3-4-17-13(8-12)5-7-27-17/h3-5,7-9,11,14,23H,1-2,6,10H2,(H2,22,26)(H,24,25)/t14-/m0/s1
InChIKeyWDVGWSZBYFZUQJ-AWEZNQCLSA-N
XLogP4.44
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

4-Amino-2-[4-(Tert-Butylsulfamoyl)phenyl]-N-Methylthieno[3,2-C]pyridine-7-Carboxamide
CID 53497572
2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
CID 11951723
Chk1-IN-2
CID 11951901
2-(4-Chlorophenyl)-4-[(3s)-Piperidin-3-Ylamino]thieno[3,2-C]pyridine-7-Carboxamide
CID 44133237
Benzothienopyrimidinone deriv., 16a
CID 135927963
Benzothienopyrimidinone deriv., 16b
CID 135927964
N-[1-[[(2R)-1-oxo-1-[[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10122346
(S)-2-(4-carbamoylphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925625
(S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925626
4-Amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 10107882
(S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 11842628
4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide
CID 11951722

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52947335) is 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4sccc4c3)sc12.
What is the InChIKey of 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is WDVGWSZBYFZUQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N4OS2/c22-20(26)16-11-24-21(25-14-2-1-6-23-10-14)15-9-18(28-19(15)16)12-3-4-17-13(8-12)5-7-27-17/h3-5,7-9,11,14,23H,1-2,6,10H2,(H2,22,26)(H,24,25)/t14-/m0/s1.
What are the key properties of 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-yl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52947335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).