5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

C22H24N8O — CID 54587510

IUPAC5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1cnc(Nc2ccc(-n3cnc(N4CCOCC4)n3)cc2)cc1-c1ccn(C)n1
InChIInChI=1S/C22H24N8O/c1-16-14-23-21(13-19(16)20-7-8-28(2)26-20)25-17-3-5-18(6-4-17)30-15-24-22(27-30)29-9-11-31-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,23,25)
InChIKeyNTULJUQCBZIAGY-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.95
Rot. Bonds5

About 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 54587510) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
PubChem CID54587510
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCc1cnc(Nc2ccc(-n3cnc(N4CCOCC4)n3)cc2)cc1-c1ccn(C)n1
InChIInChI=1S/C22H24N8O/c1-16-14-23-21(13-19(16)20-7-8-28(2)26-20)25-17-3-5-18(6-4-17)30-15-24-22(27-30)29-9-11-31-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,23,25)
InChIKeyNTULJUQCBZIAGY-UHFFFAOYSA-N
XLogP2.95
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (CID 54587510) is 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is Cc1cnc(Nc2ccc(-n3cnc(N4CCOCC4)n3)cc2)cc1-c1ccn(C)n1.
What is the InChIKey of 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is NTULJUQCBZIAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-16-14-23-21(13-19(16)20-7-8-28(2)26-20)25-17-3-5-18(6-4-17)30-15-24-22(27-30)29-9-11-31-12-10-29/h3-8,13-15H,9-12H2,1-2H3,(H,23,25).
What are the key properties of 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 416.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylpyrazol-3-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 54587510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).