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

C18H20N4O2S — CID 176502241

IUPAC3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc(CN(CCO)C(=O)c2cnc3c(c2)ncn3C2CC2)s1
InChIInChI=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
InChIKeyYLYIURCAASWZTR-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.77
Rot. Bonds6

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 Name3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176502241
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc(CN(CCO)C(=O)c2cnc3c(c2)ncn3C2CC2)s1
InChIInChI=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
InChIKeyYLYIURCAASWZTR-UHFFFAOYSA-N
XLogP2.77
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).