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

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

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Related Compounds

4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-morpholin-4-yl-6-(6-piperazin-1-yl-3-pyridinyl)pteridin-2-amine
CID 68774659
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162754
7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 11014315
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyrazin-2-amine
CID 67388608
5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10005239
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
CID 126475128
4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine
CID 146042376
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one
CID 123765235

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).