2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide

C15H13N7O — CID 138809856

IUPAC2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1nc2ccccc2n1)NCc1[nH]nc2ncccc12
InChIInChI=1S/C15H13N7O/c23-14(9-22-20-11-5-1-2-6-12(11)21-22)17-8-13-10-4-3-7-16-15(10)19-18-13/h1-7H,8-9H2,(H,17,23)(H,16,18,19)
InChIKeyOKARTNNWAHPGEW-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.02
Rot. Bonds4

About 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide

2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide (PubChem CID 138809856) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
PubChem CID138809856
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1nc2ccccc2n1)NCc1[nH]nc2ncccc12
InChIInChI=1S/C15H13N7O/c23-14(9-22-20-11-5-1-2-6-12(11)21-22)17-8-13-10-4-3-7-16-15(10)19-18-13/h1-7H,8-9H2,(H,17,23)(H,16,18,19)
InChIKeyOKARTNNWAHPGEW-UHFFFAOYSA-N
XLogP1.02
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide (CID 138809856) is 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide is O=C(Cn1nc2ccccc2n1)NCc1[nH]nc2ncccc12.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The InChIKey is OKARTNNWAHPGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c23-14(9-22-20-11-5-1-2-6-12(11)21-22)17-8-13-10-4-3-7-16-15(10)19-18-13/h1-7H,8-9H2,(H,17,23)(H,16,18,19).
What are the key properties of 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide has a molecular weight of 307.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 138809856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).