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

C12H15N5O2 — CID 155512356

IUPAC2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1[nH]nc2ncccc12
InChIInChI=1S/C12H15N5O2/c18-10(8-17-4-6-19-7-5-17)14-12-9-2-1-3-13-11(9)15-16-12/h1-3H,4-8H2,(H2,13,14,15,16,18)
InChIKeyRVWMNZMCXBRAGC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.23
Rot. Bonds3

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

2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (PubChem CID 155512356) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
PubChem CID155512356
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESO=C(CN1CCOCC1)Nc1[nH]nc2ncccc12
InChIInChI=1S/C12H15N5O2/c18-10(8-17-4-6-19-7-5-17)14-12-9-2-1-3-13-11(9)15-16-12/h1-3H,4-8H2,(H2,13,14,15,16,18)
InChIKeyRVWMNZMCXBRAGC-UHFFFAOYSA-N
XLogP0.23
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (CID 155512356) is 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is O=C(CN1CCOCC1)Nc1[nH]nc2ncccc12.
What is the InChIKey of 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The InChIKey is RVWMNZMCXBRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-10(8-17-4-6-19-7-5-17)14-12-9-2-1-3-13-11(9)15-16-12/h1-3H,4-8H2,(H2,13,14,15,16,18).
What are the key properties of 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 155512356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).