N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide

C13H15N5O — CID 99719190

IUPACN-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CN[C@@H]1C2)c1cn2ccnc2cn1
InChIInChI=1S/C13H15N5O/c19-13(17-10-4-8-3-9(10)15-5-8)11-7-18-2-1-14-12(18)6-16-11/h1-2,6-10,15H,3-5H2,(H,17,19)/t8-,9-,10-/m1/s1
InChIKeyFFPNTORLXAYBLH-OPRDCNLKSA-N
MW257.30 g/mol
LogP0.21
Rot. Bonds2

About N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide

N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 99719190) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID99719190
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CN[C@@H]1C2)c1cn2ccnc2cn1
InChIInChI=1S/C13H15N5O/c19-13(17-10-4-8-3-9(10)15-5-8)11-7-18-2-1-14-12(18)6-16-11/h1-2,6-10,15H,3-5H2,(H,17,19)/t8-,9-,10-/m1/s1
InChIKeyFFPNTORLXAYBLH-OPRDCNLKSA-N
XLogP0.21
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 99719190) is N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide is O=C(N[C@@H]1C[C@@H]2CN[C@@H]1C2)c1cn2ccnc2cn1.
What is the InChIKey of N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is FFPNTORLXAYBLH-OPRDCNLKSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(17-10-4-8-3-9(10)15-5-8)11-7-18-2-1-14-12(18)6-16-11/h1-2,6-10,15H,3-5H2,(H,17,19)/t8-,9-,10-/m1/s1.
What are the key properties of N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 99719190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).