1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen

C16H22N4 — CID 176704478

IUPAC1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen
SMILESC=C(N)c1cnn2ccc(N3CC4(C3)CC4(C)C)cc12.[H][H]
InChIInChI=1S/C16H20N4.H2/c1-11(17)13-7-18-20-5-4-12(6-14(13)20)19-9-16(10-19)8-15(16,2)3;/h4-7H,1,8-10,17H2,2-3H3;1H
InChIKeyWEQZJJUIKTZQJM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.75
Rot. Bonds2

About 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen

1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen (PubChem CID 176704478) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen.

Molecular Properties

Compound Name1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen
PubChem CID176704478
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen
SMILESC=C(N)c1cnn2ccc(N3CC4(C3)CC4(C)C)cc12.[H][H]
InChIInChI=1S/C16H20N4.H2/c1-11(17)13-7-18-20-5-4-12(6-14(13)20)19-9-16(10-19)8-15(16,2)3;/h4-7H,1,8-10,17H2,2-3H3;1H
InChIKeyWEQZJJUIKTZQJM-UHFFFAOYSA-N
XLogP2.75
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen?
The IUPAC name of 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen (CID 176704478) is 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen.
What is the SMILES notation for 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen?
The canonical SMILES for 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen is C=C(N)c1cnn2ccc(N3CC4(C3)CC4(C)C)cc12.[H][H].
What is the InChIKey of 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen?
The InChIKey is WEQZJJUIKTZQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4.H2/c1-11(17)13-7-18-20-5-4-12(6-14(13)20)19-9-16(10-19)8-15(16,2)3;/h4-7H,1,8-10,17H2,2-3H3;1H.
What are the key properties of 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen?
1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen has a molecular weight of 270.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethyl-5-azaspiro[2.3]hexan-5-yl)pyrazolo[1,5-a]pyridin-3-yl]ethenamine;molecular hydrogen is sourced from PubChem (CID 176704478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).