3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C18H20N4O2S — CID 176502241

About 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176502241) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 176502241
• Molecular Formula: C18H20N4O2S
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.13
• IUPAC Name: 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: Cc1ccc(CN(CCO)C(=O)c2cnc3c(c2)ncn3C2CC2)s1
• InChI: InChI=1S/C18H20N4O2S/c1-12-2-5-15(25-12)10-21(6-7-23)18(24)13-8-16-17(19-9-13)22(11-20-16)14-3-4-14/h2,5,8-9,11,14,23H,3-4,6-7,10H2,1H3
• InChIKey: YLYIURCAASWZTR-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176502241) is 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is Cc1ccc(CN(CCO)C(=O)c2cnc3c(c2)ncn3C2CC2)s1.

What is the InChIKey of 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is YLYIURCAASWZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-2-5-15(25-12)10-21(6-7-23)18(24)13-8-16-17(19-9-13)22(11-20-16)14-3-4-14/h2,5,8-9,11,14,23H,3-4,6-7,10H2,1H3.

What are the key properties of 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176502241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).