1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol

C18H20N4OS — CID 166197283

IUPAC1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ncccc2NCc2cnc3ccsc3c2)CC1
InChIInChI=1S/C18H20N4OS/c23-14-3-7-22(8-4-14)18-16(2-1-6-19-18)21-12-13-10-17-15(20-11-13)5-9-24-17/h1-2,5-6,9-11,14,21,23H,3-4,7-8,12H2
InChIKeyQRZWBGXXRBTULA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.26
Rot. Bonds4

About 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol

1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol (PubChem CID 166197283) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol
PubChem CID166197283
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ncccc2NCc2cnc3ccsc3c2)CC1
InChIInChI=1S/C18H20N4OS/c23-14-3-7-22(8-4-14)18-16(2-1-6-19-18)21-12-13-10-17-15(20-11-13)5-9-24-17/h1-2,5-6,9-11,14,21,23H,3-4,7-8,12H2
InChIKeyQRZWBGXXRBTULA-UHFFFAOYSA-N
XLogP3.26
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
CID 167886198
1-[3-[(3-phenylphenyl)methylamino]-2-pyridinyl]piperidin-4-ol
CID 75391244
1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
CID 167834826
1-[3-(fluoroamino)-2-pyridinyl]piperidin-4-ol
CID 89185599
N-[2-methyl-3-(thieno[3,2-b]pyridin-6-ylmethylamino)phenyl]acetamide
CID 86780974
4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 43676426
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 60982261
(2R)-2-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-1-ol
CID 103848216
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
2-bromo-4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63045195
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831402
N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
CID 115765554

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol (CID 166197283) is 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol is OC1CCN(c2ncccc2NCc2cnc3ccsc3c2)CC1.
What is the InChIKey of 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The InChIKey is QRZWBGXXRBTULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-14-3-7-22(8-4-14)18-16(2-1-6-19-18)21-12-13-10-17-15(20-11-13)5-9-24-17/h1-2,5-6,9-11,14,21,23H,3-4,7-8,12H2.
What are the key properties of 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol has a molecular weight of 340.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 166197283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).