3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine

C21H22N6O — CID 90435597

IUPAC3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(N3CCOCC3)nc2)nc1N1Cc2ccccc2C1
InChIInChI=1S/C21H22N6O/c22-20-21(27-13-16-3-1-2-4-17(16)14-27)25-18(12-24-20)15-5-6-19(23-11-15)26-7-9-28-10-8-26/h1-6,11-12H,7-10,13-14H2,(H2,22,24)
InChIKeyBAGDQVDJRYYQJU-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.48
Rot. Bonds3

About 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine

3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine (PubChem CID 90435597) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
PubChem CID90435597
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
SMILESNc1ncc(-c2ccc(N3CCOCC3)nc2)nc1N1Cc2ccccc2C1
InChIInChI=1S/C21H22N6O/c22-20-21(27-13-16-3-1-2-4-17(16)14-27)25-18(12-24-20)15-5-6-19(23-11-15)26-7-9-28-10-8-26/h1-6,11-12H,7-10,13-14H2,(H2,22,24)
InChIKeyBAGDQVDJRYYQJU-UHFFFAOYSA-N
XLogP2.48
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine (CID 90435597) is 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine is Nc1ncc(-c2ccc(N3CCOCC3)nc2)nc1N1Cc2ccccc2C1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine?
The InChIKey is BAGDQVDJRYYQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-20-21(27-13-16-3-1-2-4-17(16)14-27)25-18(12-24-20)15-5-6-19(23-11-15)26-7-9-28-10-8-26/h1-6,11-12H,7-10,13-14H2,(H2,22,24).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine?
3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine has a molecular weight of 374.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine is sourced from PubChem (CID 90435597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).