4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine

C22H28N8O — CID 122592571

IUPAC4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine
SMILESCc1cnn(-c2cccc(-c3nc(N4CCCCCC4)nc(N4CCOCC4)n3)n2)c1
InChIInChI=1S/C22H28N8O/c1-17-15-23-30(16-17)19-8-6-7-18(24-19)20-25-21(28-9-4-2-3-5-10-28)27-22(26-20)29-11-13-31-14-12-29/h6-8,15-16H,2-5,9-14H2,1H3
InChIKeyIQQNESUKGFRTJS-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.64
Rot. Bonds4

About 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine

4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 122592571) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine
PubChem CID122592571
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine
SMILESCc1cnn(-c2cccc(-c3nc(N4CCCCCC4)nc(N4CCOCC4)n3)n2)c1
InChIInChI=1S/C22H28N8O/c1-17-15-23-30(16-17)19-8-6-7-18(24-19)20-25-21(28-9-4-2-3-5-10-28)27-22(26-20)29-11-13-31-14-12-29/h6-8,15-16H,2-5,9-14H2,1H3
InChIKeyIQQNESUKGFRTJS-UHFFFAOYSA-N
XLogP2.64
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085
6-(4-methylpyrazol-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)pyridin-2-amine;dihydrochloride
CID 69235125
4-[4-(azepan-1-yl)-6-(2,4-dimethylpyrimidin-5-yl)-1,3,5-triazin-2-yl]morpholine
CID 122592543
4-[4-(5-fluoro-6-methyl-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507773
methyl 6-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridine-2-carboxylate
CID 58508119
2-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-4-amine
CID 122592589
4-[4-(azepan-1-yl)-6-(4-ethenyl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 122592521
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-[4-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58508286

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine (CID 122592571) is 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine is Cc1cnn(-c2cccc(-c3nc(N4CCCCCC4)nc(N4CCOCC4)n3)n2)c1.
What is the InChIKey of 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is IQQNESUKGFRTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-17-15-23-30(16-17)19-8-6-7-18(24-19)20-25-21(28-9-4-2-3-5-10-28)27-22(26-20)29-11-13-31-14-12-29/h6-8,15-16H,2-5,9-14H2,1H3.
What are the key properties of 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine?
4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 420.52 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azepan-1-yl)-6-[6-(4-methylpyrazol-1-yl)-2-pyridinyl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 122592571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).