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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Related Compounds

6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 137297808
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
4-amino-5-fluoro-8-hydroxy-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 167713312
4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 137292823
7-hydroxy-4-(phosphanylmethyl)-6-[6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-benzimidazol-2-yl]thieno[3,2-b]pyridin-5-one
CID 166930025
4-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136621476
6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-sulfonic acid
CID 87680464
4-(cyclopentylamino)-3-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 137288833
1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-thiophen-3-yl-1H-pyrrol-3-yl]ethanone
CID 154688882
4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 145214385
7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one
CID 165113958
4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;but-1-ene-2,3-diol
CID 176571063

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).