1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine

C21H20N8 — CID 72669474

IUPAC1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine
SMILESc1ccc2c(c1)c(Nc1cnccn1)nn2-c1ccnc(N2CC3CC2CN3)c1
InChIInChI=1S/C21H20N8/c1-2-4-18-17(3-1)21(26-19-12-22-7-8-23-19)27-29(18)15-5-6-24-20(10-15)28-13-14-9-16(28)11-25-14/h1-8,10,12,14,16,25H,9,11,13H2,(H,23,26,27)
InChIKeyHVXSUSZHVBRUAB-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine

1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine (PubChem CID 72669474) has the molecular formula C21H20N8 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine.

Molecular Properties

Compound Name1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine
PubChem CID72669474
Molecular FormulaC21H20N8
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine
SMILESc1ccc2c(c1)c(Nc1cnccn1)nn2-c1ccnc(N2CC3CC2CN3)c1
InChIInChI=1S/C21H20N8/c1-2-4-18-17(3-1)21(26-19-12-22-7-8-23-19)27-29(18)15-5-6-24-20(10-15)28-13-14-9-16(28)11-25-14/h1-8,10,12,14,16,25H,9,11,13H2,(H,23,26,27)
InChIKeyHVXSUSZHVBRUAB-UHFFFAOYSA-N
XLogP2.50
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine?
The IUPAC name of 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine (CID 72669474) is 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine.
What is the SMILES notation for 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine?
The canonical SMILES for 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine is c1ccc2c(c1)c(Nc1cnccn1)nn2-c1ccnc(N2CC3CC2CN3)c1.
What is the InChIKey of 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine?
The InChIKey is HVXSUSZHVBRUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8/c1-2-4-18-17(3-1)21(26-19-12-22-7-8-23-19)27-29(18)15-5-6-24-20(10-15)28-13-14-9-16(28)11-25-14/h1-8,10,12,14,16,25H,9,11,13H2,(H,23,26,27).
What are the key properties of 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine?
1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine has a molecular weight of 384.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]-N-pyrazin-2-ylindazol-3-amine is sourced from PubChem (CID 72669474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).