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

C15H19N7OS — CID 70715990

IUPAC2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCc3cnc(SC)n3C)cnc21
InChIInChI=1S/C15H19N7OS/c1-4-22-12-11(20-14(22)16)5-9(6-17-12)13(23)18-7-10-8-19-15(24-3)21(10)2/h5-6,8H,4,7H2,1-3H3,(H2,16,20)(H,18,23)
InChIKeyLMKQBFQRVZDOMN-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.42
Rot. Bonds5

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

2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70715990) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70715990
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCc3cnc(SC)n3C)cnc21
InChIInChI=1S/C15H19N7OS/c1-4-22-12-11(20-14(22)16)5-9(6-17-12)13(23)18-7-10-8-19-15(24-3)21(10)2/h5-6,8H,4,7H2,1-3H3,(H2,16,20)(H,18,23)
InChIKeyLMKQBFQRVZDOMN-UHFFFAOYSA-N
XLogP1.42
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,3-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]quinoxaline-6-carboxamide
CID 72936192
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70721834
2-amino-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70754056
2-amino-3-ethyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70704639
2-amino-3-ethyl-N-[2-(2-hydroxyethoxy)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70739374
2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70738438
2-amino-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70782320
2-amino-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70739341
2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70746816
2-amino-3-ethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70784602
2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70706243
2-amino-3-ethyl-N-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70723115

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 70715990) is 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCc3cnc(SC)n3C)cnc21.
What is the InChIKey of 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is LMKQBFQRVZDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-4-22-12-11(20-14(22)16)5-9(6-17-12)13(23)18-7-10-8-19-15(24-3)21(10)2/h5-6,8H,4,7H2,1-3H3,(H2,16,20)(H,18,23).
What are the key properties of 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70715990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).