2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide

C32H28F2N6O4 — CID 54768808

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)c(F)c3)cn2n1
InChIInChI=1S/C32H28F2N6O4/c1-43-28-17-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-25(26(34)16-21)30(41)35-18-20-2-7-24(33)8-3-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,35,41)(H,36,38)
InChIKeyVBSTZSSJMREQGP-UHFFFAOYSA-N
MW598.61 g/mol
LogP4.83
Rot. Bonds8

About 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide

2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (PubChem CID 54768808) has the molecular formula C32H28F2N6O4 and a molecular weight of 598.61 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
PubChem CID54768808
Molecular FormulaC32H28F2N6O4
Molecular Weight598.61 g/mol
Exact Mass598.21
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)c(F)c3)cn2n1
InChIInChI=1S/C32H28F2N6O4/c1-43-28-17-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-25(26(34)16-21)30(41)35-18-20-2-7-24(33)8-3-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,35,41)(H,36,38)
InChIKeyVBSTZSSJMREQGP-UHFFFAOYSA-N
XLogP4.83
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.61
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (CID 54768808) is 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)c(F)c3)cn2n1.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The InChIKey is VBSTZSSJMREQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N6O4/c1-43-28-17-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-25(26(34)16-21)30(41)35-18-20-2-7-24(33)8-3-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,35,41)(H,36,38).
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide has a molecular weight of 598.61 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 54768808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).