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

C19H19N5OS — CID 145214385

IUPAC4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
SMILESNc1c(-c2nc3ccc(N4CCCCC4)cc3[nH]2)c(=O)[nH]c2sccc12
InChIInChI=1S/C19H19N5OS/c20-16-12-6-9-26-19(12)23-18(25)15(16)17-21-13-5-4-11(10-14(13)22-17)24-7-2-1-3-8-24/h4-6,9-10H,1-3,7-8H2,(H,21,22)(H3,20,23,25)
InChIKeyJYPFDTVNGSFVDR-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.71
Rot. Bonds2

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

4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 145214385) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID145214385
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
SMILESNc1c(-c2nc3ccc(N4CCCCC4)cc3[nH]2)c(=O)[nH]c2sccc12
InChIInChI=1S/C19H19N5OS/c20-16-12-6-9-26-19(12)23-18(25)15(16)17-21-13-5-4-11(10-14(13)22-17)24-7-2-1-3-8-24/h4-6,9-10H,1-3,7-8H2,(H,21,22)(H3,20,23,25)
InChIKeyJYPFDTVNGSFVDR-UHFFFAOYSA-N
XLogP3.71
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one (CID 145214385) is 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one is Nc1c(-c2nc3ccc(N4CCCCC4)cc3[nH]2)c(=O)[nH]c2sccc12.
What is the InChIKey of 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is JYPFDTVNGSFVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c20-16-12-6-9-26-19(12)23-18(25)15(16)17-21-13-5-4-11(10-14(13)22-17)24-7-2-1-3-8-24/h4-6,9-10H,1-3,7-8H2,(H,21,22)(H3,20,23,25).
What are the key properties of 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one?
4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 365.46 g/mol, XLogP of 3.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 145214385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).