N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C13H13N7O2 — CID 142460646

IUPACN-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCc1cn(CC2CO2)nn1)c1[nH]nc2ncccc12
InChIInChI=1S/C13H13N7O2/c21-13(11-10-2-1-3-14-12(10)18-17-11)15-4-8-5-20(19-16-8)6-9-7-22-9/h1-3,5,9H,4,6-7H2,(H,15,21)(H,14,17,18)
InChIKeySTZXZKKZFZRBJS-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.12
Rot. Bonds5

About N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 142460646) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID142460646
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCc1cn(CC2CO2)nn1)c1[nH]nc2ncccc12
InChIInChI=1S/C13H13N7O2/c21-13(11-10-2-1-3-14-12(10)18-17-11)15-4-8-5-20(19-16-8)6-9-7-22-9/h1-3,5,9H,4,6-7H2,(H,15,21)(H,14,17,18)
InChIKeySTZXZKKZFZRBJS-UHFFFAOYSA-N
XLogP-0.12
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide
CID 126835800
2-[4-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457376
1-cyclopropyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138383819
2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 84662548
1-(1H-indazol-3-yl)-3-[1-(oxetan-2-ylmethyl)triazol-4-yl]propan-1-one
CID 158642114
2-[4-[[(2-methylsulfanylpyridine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457541
2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide
CID 114778327
N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 166366395
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167910121
[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167808185
N-[[1-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]triazol-4-yl]methyl]benzamide
CID 11416731
5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 121198009

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 142460646) is N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is O=C(NCc1cn(CC2CO2)nn1)c1[nH]nc2ncccc12.
What is the InChIKey of N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is STZXZKKZFZRBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c21-13(11-10-2-1-3-14-12(10)18-17-11)15-4-8-5-20(19-16-8)6-9-7-22-9/h1-3,5,9H,4,6-7H2,(H,15,21)(H,14,17,18).
What are the key properties of N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 142460646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).