3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide

C24H22FN7O2 — CID 24936946

IUPAC3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(-c2ccccn2)nn1
InChIInChI=1S/C24H22FN7O2/c1-16-23(32-15-22(29-30-32)21-4-2-3-5-26-21)13-19(14-27-16)28-24(33)17-10-18(25)12-20(11-17)31-6-8-34-9-7-31/h2-5,10-15H,6-9H2,1H3,(H,28,33)
InChIKeyOUPHICCOXWSQGL-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.26
Rot. Bonds5

About 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide

3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide (PubChem CID 24936946) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
PubChem CID24936946
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(-c2ccccn2)nn1
InChIInChI=1S/C24H22FN7O2/c1-16-23(32-15-22(29-30-32)21-4-2-3-5-26-21)13-19(14-27-16)28-24(33)17-10-18(25)12-20(11-17)31-6-8-34-9-7-31/h2-5,10-15H,6-9H2,1H3,(H,28,33)
InChIKeyOUPHICCOXWSQGL-UHFFFAOYSA-N
XLogP3.26
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide (CID 24936946) is 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide is Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(-c2ccccn2)nn1.
What is the InChIKey of 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The InChIKey is OUPHICCOXWSQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-16-23(32-15-22(29-30-32)21-4-2-3-5-26-21)13-19(14-27-16)28-24(33)17-10-18(25)12-20(11-17)31-6-8-34-9-7-31/h2-5,10-15H,6-9H2,1H3,(H,28,33).
What are the key properties of 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide?
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide has a molecular weight of 459.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 24936946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).