7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one

C19H19N5O2S — CID 137131972

IUPAC7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
SMILESCN1CCN(c2ccc3nc(-c4c(O)c5sccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C19H19N5O2S/c1-23-5-7-24(8-6-23)11-2-3-12-14(10-11)21-18(20-12)15-16(25)17-13(4-9-27-17)22-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,20,21)(H2,22,25,26)
InChIKeyZOUJPCPHPYCMGN-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.59
Rot. Bonds2

About 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one

7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 137131972) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
PubChem CID137131972
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
SMILESCN1CCN(c2ccc3nc(-c4c(O)c5sccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C19H19N5O2S/c1-23-5-7-24(8-6-23)11-2-3-12-14(10-11)21-18(20-12)15-16(25)17-13(4-9-27-17)22-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,20,21)(H2,22,25,26)
InChIKeyZOUJPCPHPYCMGN-UHFFFAOYSA-N
XLogP2.59
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one (CID 137131972) is 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one is CN1CCN(c2ccc3nc(-c4c(O)c5sccc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ZOUJPCPHPYCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-23-5-7-24(8-6-23)11-2-3-12-14(10-11)21-18(20-12)15-16(25)17-13(4-9-27-17)22-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,20,21)(H2,22,25,26).
What are the key properties of 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one?
7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 381.46 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 137131972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).