1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone

C17H15N7OS — CID 136519791

IUPAC1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2[nH]cnc2n1)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C17H15N7OS/c25-17(13-2-1-12-15(22-13)20-9-19-12)24-6-4-23(5-7-24)16-14-11(3-8-26-14)18-10-21-16/h1-3,8-10H,4-7H2,(H,19,20,22)
InChIKeyBTWIULMISYJMDL-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.92
Rot. Bonds2

About 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone

1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone (PubChem CID 136519791) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
PubChem CID136519791
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Name1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2[nH]cnc2n1)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C17H15N7OS/c25-17(13-2-1-12-15(22-13)20-9-19-12)24-6-4-23(5-7-24)16-14-11(3-8-26-14)18-10-21-16/h1-3,8-10H,4-7H2,(H,19,20,22)
InChIKeyBTWIULMISYJMDL-UHFFFAOYSA-N
XLogP1.92
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
5-[2-oxo-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]-1H-pyridin-2-one
CID 166244280
(5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 136528007
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
7-amino-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119884627
1-[(6R)-6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl]ethanone
CID 97129327
6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
CID 133340858
2-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
(3-cyclohexyl-1-methylpyrazol-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 139003793
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119884652
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003

Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone (CID 136519791) is 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone is O=C(c1ccc2[nH]cnc2n1)N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is BTWIULMISYJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS/c25-17(13-2-1-12-15(22-13)20-9-19-12)24-6-4-23(5-7-24)16-14-11(3-8-26-14)18-10-21-16/h1-3,8-10H,4-7H2,(H,19,20,22).
What are the key properties of 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 365.42 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]pyridin-5-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 136519791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).