1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid

C16H15N5O4 — CID 167897579

IUPAC1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCN2C(=O)c2ccc3occc3n2)nn1
InChIInChI=1S/C16H15N5O4/c22-15(12-3-4-14-11(17-12)5-7-25-14)21-6-1-2-10(21)8-20-9-13(16(23)24)18-19-20/h3-5,7,9-10H,1-2,6,8H2,(H,23,24)
InChIKeyMRYKRXZZRHIPIV-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.42
Rot. Bonds4

About 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid

1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 167897579) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID167897579
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCN2C(=O)c2ccc3occc3n2)nn1
InChIInChI=1S/C16H15N5O4/c22-15(12-3-4-14-11(17-12)5-7-25-14)21-6-1-2-10(21)8-20-9-13(16(23)24)18-19-20/h3-5,7,9-10H,1-2,6,8H2,(H,23,24)
InChIKeyMRYKRXZZRHIPIV-UHFFFAOYSA-N
XLogP1.42
TPSA114.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-chlorofuran-3-yl)-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 120949943
[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120949956
2-[4-(2-ethylpyrrolidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66287918
[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 120949803
1-[[1-(4-phenoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
CID 167903166
[2-formyl-4-[2-[[4-(methylcarbamoyl)triazol-1-yl]methyl]pyrrolidine-1-carbonyl]phenyl]boronic acid
CID 166432503
tert-butyl (2S)-2-[[4-(methylcarbamoyl)triazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97184481
tert-butyl (2R)-2-[(4-carbamoyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 97184474
N-benzyl-1-[[1-(3,4-difluorobenzoyl)pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171144126
(2-methoxypyrimidin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 136586362
2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 138004066
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid (CID 167897579) is 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid is O=C(O)c1cn(CC2CCCN2C(=O)c2ccc3occc3n2)nn1.
What is the InChIKey of 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is MRYKRXZZRHIPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c22-15(12-3-4-14-11(17-12)5-7-25-14)21-6-1-2-10(21)8-20-9-13(16(23)24)18-19-20/h3-5,7,9-10H,1-2,6,8H2,(H,23,24).
What are the key properties of 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 341.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(furo[3,2-b]pyridine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 167897579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).