4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine

C24H24FN7O — CID 117078834

IUPAC4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCc1cc(Nc2cc(-n3cnc(Nc4ccccc4)n3)c(F)cn2)ccc1N1CCOCC1
InChIInChI=1S/C24H24FN7O/c1-17-13-19(7-8-21(17)31-9-11-33-12-10-31)28-23-14-22(20(25)15-26-23)32-16-27-24(30-32)29-18-5-3-2-4-6-18/h2-8,13-16H,9-12H2,1H3,(H,26,28)(H,29,30)
InChIKeyQWNAKNHZUIFABS-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.43
Rot. Bonds6

About 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine

4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 117078834) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID117078834
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCc1cc(Nc2cc(-n3cnc(Nc4ccccc4)n3)c(F)cn2)ccc1N1CCOCC1
InChIInChI=1S/C24H24FN7O/c1-17-13-19(7-8-21(17)31-9-11-33-12-10-31)28-23-14-22(20(25)15-26-23)32-16-27-24(30-32)29-18-5-3-2-4-6-18/h2-8,13-16H,9-12H2,1H3,(H,26,28)(H,29,30)
InChIKeyQWNAKNHZUIFABS-UHFFFAOYSA-N
XLogP4.43
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine (CID 117078834) is 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine is Cc1cc(Nc2cc(-n3cnc(Nc4ccccc4)n3)c(F)cn2)ccc1N1CCOCC1.
What is the InChIKey of 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is QWNAKNHZUIFABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-17-13-19(7-8-21(17)31-9-11-33-12-10-31)28-23-14-22(20(25)15-26-23)32-16-27-24(30-32)29-18-5-3-2-4-6-18/h2-8,13-16H,9-12H2,1H3,(H,26,28)(H,29,30).
What are the key properties of 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine?
4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 445.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilino-1,2,4-triazol-1-yl)-5-fluoro-N-(3-methyl-4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 117078834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).