methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate

C10H12N4O2 — CID 112616531

IUPACmethyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2nc(N(C)C)ccc2[nH]1
InChIInChI=1S/C10H12N4O2/c1-14(2)7-5-4-6-8(12-7)13-9(11-6)10(15)16-3/h4-5H,1-3H3,(H,11,12,13)
InChIKeyITJANWINSVMDLD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.81
Rot. Bonds2

About methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate

methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate (PubChem CID 112616531) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate
PubChem CID112616531
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Namemethyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2nc(N(C)C)ccc2[nH]1
InChIInChI=1S/C10H12N4O2/c1-14(2)7-5-4-6-8(12-7)13-9(11-6)10(15)16-3/h4-5H,1-3H3,(H,11,12,13)
InChIKeyITJANWINSVMDLD-UHFFFAOYSA-N
XLogP0.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821609
2-(difluoromethyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820758
methyl 4-sulfanyl-1H-benzimidazole-2-carboxylate
CID 130956320
N,N-dimethyl-2-propyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 67942968
2-(4-chlorobutyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79815983
methyl 4-propan-2-yl-1H-benzimidazole-2-carboxylate
CID 135165634
methyl 6-(dimethylamino)pyridazine-3-carboxylate
CID 121206143
3-amino-1-[5-(dimethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 107835445
2-(1-aminopropyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79816347
2-(2-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821265
2-benzyl-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79815922
N,N-dimethyl-2-(2-phenoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817092

Frequently Asked Questions

What is the IUPAC name of methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate (CID 112616531) is methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate is COC(=O)c1nc2nc(N(C)C)ccc2[nH]1.
What is the InChIKey of methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate?
The InChIKey is ITJANWINSVMDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-14(2)7-5-4-6-8(12-7)13-9(11-6)10(15)16-3/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate?
methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 112616531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).