11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone

C17H14N4O — CID 167910121

IUPAC11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
SMILESO=C(c1[nH]nc2ncccc12)N1C2CCC1c1ccccc12
InChIInChI=1S/C17H14N4O/c22-17(15-12-6-3-9-18-16(12)20-19-15)21-13-7-8-14(21)11-5-2-1-4-10(11)13/h1-6,9,13-14H,7-8H2,(H,18,19,20)
InChIKeyLMPNWRUCWPKXQF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.99
Rot. Bonds1

About 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone

11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone (PubChem CID 167910121) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
PubChem CID167910121
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
SMILESO=C(c1[nH]nc2ncccc12)N1C2CCC1c1ccccc12
InChIInChI=1S/C17H14N4O/c22-17(15-12-6-3-9-18-16(12)20-19-15)21-13-7-8-14(21)11-5-2-1-4-10(11)13/h1-6,9,13-14H,7-8H2,(H,18,19,20)
InChIKeyLMPNWRUCWPKXQF-UHFFFAOYSA-N
XLogP2.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone?
The IUPAC name of 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) is 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone.
What is the SMILES notation for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone?
The canonical SMILES for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone is O=C(c1[nH]nc2ncccc12)N1C2CCC1c1ccccc12.
What is the InChIKey of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone?
The InChIKey is LMPNWRUCWPKXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(15-12-6-3-9-18-16(12)20-19-15)21-13-7-8-14(21)11-5-2-1-4-10(11)13/h1-6,9,13-14H,7-8H2,(H,18,19,20).
What are the key properties of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone?
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone has a molecular weight of 290.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone is sourced from PubChem (CID 167910121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).