(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone

C16H19N5O — CID 154789253

IUPAC(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone
SMILESNC1CC2CCC1N(C(=O)c1ccc(-c3cn[nH]c3)cn1)C2
InChIInChI=1S/C16H19N5O/c17-13-5-10-1-4-15(13)21(9-10)16(22)14-3-2-11(6-18-14)12-7-19-20-8-12/h2-3,6-8,10,13,15H,1,4-5,9,17H2,(H,19,20)
InChIKeyUZRSCMWCWOPOEQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.42
Rot. Bonds2

About (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone

(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone (PubChem CID 154789253) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone
PubChem CID154789253
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone
SMILESNC1CC2CCC1N(C(=O)c1ccc(-c3cn[nH]c3)cn1)C2
InChIInChI=1S/C16H19N5O/c17-13-5-10-1-4-15(13)21(9-10)16(22)14-3-2-11(6-18-14)12-7-19-20-8-12/h2-3,6-8,10,13,15H,1,4-5,9,17H2,(H,19,20)
InChIKeyUZRSCMWCWOPOEQ-UHFFFAOYSA-N
XLogP1.42
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone?
The IUPAC name of (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone (CID 154789253) is (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone?
The canonical SMILES for (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone is NC1CC2CCC1N(C(=O)c1ccc(-c3cn[nH]c3)cn1)C2.
What is the InChIKey of (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone?
The InChIKey is UZRSCMWCWOPOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-13-5-10-1-4-15(13)21(9-10)16(22)14-3-2-11(6-18-14)12-7-19-20-8-12/h2-3,6-8,10,13,15H,1,4-5,9,17H2,(H,19,20).
What are the key properties of (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone?
(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone has a molecular weight of 297.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-azabicyclo[2.2.2]octan-2-yl)-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 154789253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).