1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

C19H19N5O2 — CID 71866323

IUPAC1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OC(C)c3nc4ccccc4n3C)cc12
InChIInChI=1S/C19H19N5O2/c1-11-14-9-13(10-20-18(14)24(4)22-11)19(25)26-12(2)17-21-15-7-5-6-8-16(15)23(17)3/h5-10,12H,1-4H3
InChIKeyUWAAJYAYITXHPR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.08
Rot. Bonds3

About 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate

1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 71866323) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID71866323
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCc1nn(C)c2ncc(C(=O)OC(C)c3nc4ccccc4n3C)cc12
InChIInChI=1S/C19H19N5O2/c1-11-14-9-13(10-20-18(14)24(4)22-11)19(25)26-12(2)17-21-15-7-5-6-8-16(15)23(17)3/h5-10,12H,1-4H3
InChIKeyUWAAJYAYITXHPR-UHFFFAOYSA-N
XLogP3.08
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-oxobutan-2-yl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 43051380
[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 95787306
1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78892323
1-(1-methylbenzimidazol-2-yl)ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
CID 71976411
[1-(1-adamantyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 42937468
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 51868609
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31615743
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3,4,5-trimethoxybenzoate
CID 40656243
[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 46513936
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,5-difluorobenzoate
CID 18155838

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 71866323) is 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is Cc1nn(C)c2ncc(C(=O)OC(C)c3nc4ccccc4n3C)cc12.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is UWAAJYAYITXHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-14-9-13(10-20-18(14)24(4)22-11)19(25)26-12(2)17-21-15-7-5-6-8-16(15)23(17)3/h5-10,12H,1-4H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate?
1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)ethyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 71866323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).