5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine

C23H24N8O — CID 139321434

IUPAC5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
SMILESNc1ncc(Nc2cccc(N3CCOCC3)n2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C23H24N8O/c24-22-23(27-14-16-6-7-18-17(13-16)3-2-8-25-18)30-20(15-26-22)28-19-4-1-5-21(29-19)31-9-11-32-12-10-31/h1-8,13,15H,9-12,14H2,(H2,24,26)(H2,27,28,29,30)
InChIKeyRSJBFKSJKRAZTM-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.19
Rot. Bonds6

About 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine

5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine (PubChem CID 139321434) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine.

Molecular Properties

Compound Name5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
PubChem CID139321434
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
SMILESNc1ncc(Nc2cccc(N3CCOCC3)n2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C23H24N8O/c24-22-23(27-14-16-6-7-18-17(13-16)3-2-8-25-18)30-20(15-26-22)28-19-4-1-5-21(29-19)31-9-11-32-12-10-31/h1-8,13,15H,9-12,14H2,(H2,24,26)(H2,27,28,29,30)
InChIKeyRSJBFKSJKRAZTM-UHFFFAOYSA-N
XLogP3.19
TPSA114.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The IUPAC name of 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine (CID 139321434) is 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine.
What is the SMILES notation for 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The canonical SMILES for 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine is Nc1ncc(Nc2cccc(N3CCOCC3)n2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The InChIKey is RSJBFKSJKRAZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c24-22-23(27-14-16-6-7-18-17(13-16)3-2-8-25-18)30-20(15-26-22)28-19-4-1-5-21(29-19)31-9-11-32-12-10-31/h1-8,13,15H,9-12,14H2,(H2,24,26)(H2,27,28,29,30).
What are the key properties of 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine has a molecular weight of 428.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine is sourced from PubChem (CID 139321434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).