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

C19H20N6OS — CID 137297825

IUPAC7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
SMILESCN1CCN(c2ccc3nc(-c4c(N)c5sccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-12-14(10-11)22-18(21-12)15-16(20)17-13(4-9-27-17)23-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26)
InChIKeyQVLFEWNYZXVCHO-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.47
Rot. Bonds2

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

7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 137297825) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
PubChem CID137297825
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
SMILESCN1CCN(c2ccc3nc(-c4c(N)c5sccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-12-14(10-11)22-18(21-12)15-16(20)17-13(4-9-27-17)23-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26)
InChIKeyQVLFEWNYZXVCHO-UHFFFAOYSA-N
XLogP2.47
TPSA94.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one (CID 137297825) is 7-amino-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-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one is CN1CCN(c2ccc3nc(-c4c(N)c5sccc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is QVLFEWNYZXVCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-12-14(10-11)22-18(21-12)15-16(20)17-13(4-9-27-17)23-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26).
What are the key properties of 7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one?
7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 380.48 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 137297825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).