3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine

C20H19N7O — CID 67388608

IUPAC3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)nc2)nc1-c1nc2ccccc2o1
InChIInChI=1S/C20H19N7O/c21-19-18(20-26-14-3-1-2-4-16(14)28-20)25-15(12-24-19)13-5-6-17(23-11-13)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H2,21,24)
InChIKeyLHYRZXZNVMMBIF-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.34
Rot. Bonds3

About 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine

3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine (PubChem CID 67388608) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
PubChem CID67388608
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)nc2)nc1-c1nc2ccccc2o1
InChIInChI=1S/C20H19N7O/c21-19-18(20-26-14-3-1-2-4-16(14)28-20)25-15(12-24-19)13-5-6-17(23-11-13)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H2,21,24)
InChIKeyLHYRZXZNVMMBIF-UHFFFAOYSA-N
XLogP2.34
TPSA105.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine (CID 67388608) is 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine is Nc1ncc(-c2ccc(N3CCNCC3)nc2)nc1-c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine?
The InChIKey is LHYRZXZNVMMBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c21-19-18(20-26-14-3-1-2-4-16(14)28-20)25-15(12-24-19)13-5-6-17(23-11-13)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H2,21,24).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine?
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine has a molecular weight of 373.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine is sourced from PubChem (CID 67388608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).