2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C17H22N6OS — CID 70746816

IUPAC2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)c2cnc3c(c2)nc(N)n3CC)s1
InChIInChI=1S/C17H22N6OS/c1-4-6-14-21-10(3)13(25-14)9-20-16(24)11-7-12-15(19-8-11)23(5-2)17(18)22-12/h7-8H,4-6,9H2,1-3H3,(H2,18,22)(H,20,24)
InChIKeyQEADMXAAUMJVNL-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.68
Rot. Bonds6

About 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70746816) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70746816
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCCc1nc(C)c(CNC(=O)c2cnc3c(c2)nc(N)n3CC)s1
InChIInChI=1S/C17H22N6OS/c1-4-6-14-21-10(3)13(25-14)9-20-16(24)11-7-12-15(19-8-11)23(5-2)17(18)22-12/h7-8H,4-6,9H2,1-3H3,(H2,18,22)(H,20,24)
InChIKeyQEADMXAAUMJVNL-UHFFFAOYSA-N
XLogP2.68
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 70746816) is 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCCc1nc(C)c(CNC(=O)c2cnc3c(c2)nc(N)n3CC)s1.
What is the InChIKey of 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QEADMXAAUMJVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-4-6-14-21-10(3)13(25-14)9-20-16(24)11-7-12-15(19-8-11)23(5-2)17(18)22-12/h7-8H,4-6,9H2,1-3H3,(H2,18,22)(H,20,24).
What are the key properties of 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70746816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).