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

C18H21N5O2S — CID 70306318

IUPAC2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCC1CCCNC1)c1ccnc2nc(C(O)c3cccs3)[nH]c12
InChIInChI=1S/C18H21N5O2S/c24-15(13-4-2-8-26-13)17-22-14-12(5-7-20-16(14)23-17)18(25)21-10-11-3-1-6-19-9-11/h2,4-5,7-8,11,15,19,24H,1,3,6,9-10H2,(H,21,25)(H,20,22,23)
InChIKeyIPSCYPOVUIFDIG-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.83
Rot. Bonds5

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

2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 70306318) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID70306318
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESO=C(NCC1CCCNC1)c1ccnc2nc(C(O)c3cccs3)[nH]c12
InChIInChI=1S/C18H21N5O2S/c24-15(13-4-2-8-26-13)17-22-14-12(5-7-20-16(14)23-17)18(25)21-10-11-3-1-6-19-9-11/h2,4-5,7-8,11,15,19,24H,1,3,6,9-10H2,(H,21,25)(H,20,22,23)
InChIKeyIPSCYPOVUIFDIG-UHFFFAOYSA-N
XLogP1.83
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.83
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-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 70306318) is 2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is O=C(NCC1CCCNC1)c1ccnc2nc(C(O)c3cccs3)[nH]c12.
What is the InChIKey of 2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is IPSCYPOVUIFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c24-15(13-4-2-8-26-13)17-22-14-12(5-7-20-16(14)23-17)18(25)21-10-11-3-1-6-19-9-11/h2,4-5,7-8,11,15,19,24H,1,3,6,9-10H2,(H,21,25)(H,20,22,23).
What are the key properties of 2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
2-[hydroxy(thiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.83, 5 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-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 70306318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).