3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide

C21H23FN6O3 — CID 24937200

IUPAC3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
SMILESCOCc1cn(-c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)cnc2C)nn1
InChIInChI=1S/C21H23FN6O3/c1-14-20(28-12-18(13-30-2)25-26-28)10-17(11-23-14)24-21(29)15-7-16(22)9-19(8-15)27-3-5-31-6-4-27/h7-12H,3-6,13H2,1-2H3,(H,24,29)
InChIKeyXFXFJXVNDIQNQO-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.35
Rot. Bonds6

About 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide

3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide (PubChem CID 24937200) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
PubChem CID24937200
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
SMILESCOCc1cn(-c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)cnc2C)nn1
InChIInChI=1S/C21H23FN6O3/c1-14-20(28-12-18(13-30-2)25-26-28)10-17(11-23-14)24-21(29)15-7-16(22)9-19(8-15)27-3-5-31-6-4-27/h7-12H,3-6,13H2,1-2H3,(H,24,29)
InChIKeyXFXFJXVNDIQNQO-UHFFFAOYSA-N
XLogP2.35
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946
1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid
CID 69187079
1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide
CID 24936429
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 69186906
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 91567682
3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937575
N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
CID 16665377
3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide
CID 154784049
1-[5-(3-fluoro-2-methoxy-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 69186900
5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 69088455
3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide
CID 143497671
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methyl-5-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]pyridine-3-carboxamide
CID 45256459

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide (CID 24937200) is 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide is COCc1cn(-c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)cnc2C)nn1.
What is the InChIKey of 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The InChIKey is XFXFJXVNDIQNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-14-20(28-12-18(13-30-2)25-26-28)10-17(11-23-14)24-21(29)15-7-16(22)9-19(8-15)27-3-5-31-6-4-27/h7-12H,3-6,13H2,1-2H3,(H,24,29).
What are the key properties of 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide?
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide has a molecular weight of 426.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 24937200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).