N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide

C19H16N4O2S — CID 155547142

IUPACN-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
SMILESCNC(=O)c1csc(-c2cnc3nc(COc4ccccc4)[nH]c3c2)c1
InChIInChI=1S/C19H16N4O2S/c1-20-19(24)13-8-16(26-11-13)12-7-15-18(21-9-12)23-17(22-15)10-25-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyFSLJMWFSHWRQCB-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.62
Rot. Bonds5

About N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide

N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide (PubChem CID 155547142) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
PubChem CID155547142
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
SMILESCNC(=O)c1csc(-c2cnc3nc(COc4ccccc4)[nH]c3c2)c1
InChIInChI=1S/C19H16N4O2S/c1-20-19(24)13-8-16(26-11-13)12-7-15-18(21-9-12)23-17(22-15)10-25-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyFSLJMWFSHWRQCB-UHFFFAOYSA-N
XLogP3.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The IUPAC name of N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide (CID 155547142) is N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide is CNC(=O)c1csc(-c2cnc3nc(COc4ccccc4)[nH]c3c2)c1.
What is the InChIKey of N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The InChIKey is FSLJMWFSHWRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-20-19(24)13-8-16(26-11-13)12-7-15-18(21-9-12)23-17(22-15)10-25-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 155547142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).