2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

C17H19N5O2S — CID 70308488

IUPAC2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NC1CCCNC1)c1ccnc2nc(C(O)c3cccs3)[nH]c12
InChIInChI=1S/C17H19N5O2S/c23-14(12-4-2-8-25-12)16-21-13-11(5-7-19-15(13)22-16)17(24)20-10-3-1-6-18-9-10/h2,4-5,7-8,10,14,18,23H,1,3,6,9H2,(H,20,24)(H,19,21,22)
InChIKeyHQLJPPUIBDYWOD-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.58
Rot. Bonds4

About 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide

2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 70308488) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID70308488
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NC1CCCNC1)c1ccnc2nc(C(O)c3cccs3)[nH]c12
InChIInChI=1S/C17H19N5O2S/c23-14(12-4-2-8-25-12)16-21-13-11(5-7-19-15(13)22-16)17(24)20-10-3-1-6-18-9-10/h2,4-5,7-8,10,14,18,23H,1,3,6,9H2,(H,20,24)(H,19,21,22)
InChIKeyHQLJPPUIBDYWOD-UHFFFAOYSA-N
XLogP1.58
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 70308488) is 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(NC1CCCNC1)c1ccnc2nc(C(O)c3cccs3)[nH]c12.
What is the InChIKey of 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is HQLJPPUIBDYWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-14(12-4-2-8-25-12)16-21-13-11(5-7-19-15(13)22-16)17(24)20-10-3-1-6-18-9-10/h2,4-5,7-8,10,14,18,23H,1,3,6,9H2,(H,20,24)(H,19,21,22).
What are the key properties of 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(thiophen-2-yl)methyl]-N-piperidin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 70308488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).