[3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C22H22N8O — CID 167775780

IUPAC[3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESNc1cc(-c2cn(C3CC4CCC(C3)N4C(=O)c3cnn4ccccc34)nn2)ccn1
InChIInChI=1S/C22H22N8O/c23-21-9-14(6-7-24-21)19-13-29(27-26-19)17-10-15-4-5-16(11-17)30(15)22(31)18-12-25-28-8-2-1-3-20(18)28/h1-3,6-9,12-13,15-17H,4-5,10-11H2,(H2,23,24)
InChIKeyOMCHHVHHHBFJOJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.58
Rot. Bonds3

About [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 167775780) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID167775780
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name[3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESNc1cc(-c2cn(C3CC4CCC(C3)N4C(=O)c3cnn4ccccc34)nn2)ccn1
InChIInChI=1S/C22H22N8O/c23-21-9-14(6-7-24-21)19-13-29(27-26-19)17-10-15-4-5-16(11-17)30(15)22(31)18-12-25-28-8-2-1-3-20(18)28/h1-3,6-9,12-13,15-17H,4-5,10-11H2,(H2,23,24)
InChIKeyOMCHHVHHHBFJOJ-UHFFFAOYSA-N
XLogP2.58
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 167775780) is [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is Nc1cc(-c2cn(C3CC4CCC(C3)N4C(=O)c3cnn4ccccc34)nn2)ccn1.
What is the InChIKey of [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is OMCHHVHHHBFJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c23-21-9-14(6-7-24-21)19-13-29(27-26-19)17-10-15-4-5-16(11-17)30(15)22(31)18-12-25-28-8-2-1-3-20(18)28/h1-3,6-9,12-13,15-17H,4-5,10-11H2,(H2,23,24).
What are the key properties of [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 414.47 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-amino-4-pyridinyl)triazol-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 167775780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).