(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C15H13N3O2S — CID 167802043

IUPAC(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cc(O)c2ccsc2c1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H13N3O2S/c19-13-5-9(6-14-10(13)2-4-21-14)15(20)18-3-1-11-12(7-18)17-8-16-11/h2,4-6,8,19H,1,3,7H2,(H,16,17)
InChIKeyQNXHONASOMBZNX-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.53
Rot. Bonds1

About (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 167802043) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID167802043
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cc(O)c2ccsc2c1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H13N3O2S/c19-13-5-9(6-14-10(13)2-4-21-14)15(20)18-3-1-11-12(7-18)17-8-16-11/h2,4-6,8,19H,1,3,7H2,(H,16,17)
InChIKeyQNXHONASOMBZNX-UHFFFAOYSA-N
XLogP2.53
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
CID 154782169
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 139019991
[4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72893876
1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone
CID 72916286
(6,7-difluoroquinolin-2-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167862473
1,4,5,7,8,9-hexahydroimidazo[4,5-d]azocin-6-yl(naphthalen-2-yl)methanone
CID 20803055
[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 154838235

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 167802043) is (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1cc(O)c2ccsc2c1)N1CCc2nc[nH]c2C1.
What is the InChIKey of (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is QNXHONASOMBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-13-5-9(6-14-10(13)2-4-21-14)15(20)18-3-1-11-12(7-18)17-8-16-11/h2,4-6,8,19H,1,3,7H2,(H,16,17).
What are the key properties of (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 299.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 167802043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).