4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide

C33H30F4N6O4 — CID 70980453

IUPAC4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(Nc2nc3ccc(-c4ccc(NC(=O)Cc5ccc(F)cc5)cc4)cn3n2)cc1OCC(F)(F)F
InChIInChI=1S/C33H30F4N6O4/c1-32(2,46)18-38-30(45)26-13-12-25(16-27(26)47-19-33(35,36)37)40-31-41-28-14-7-22(17-43(28)42-31)21-5-10-24(11-6-21)39-29(44)15-20-3-8-23(34)9-4-20/h3-14,16-17,46H,15,18-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,42)
InChIKeyCTBRSOPMOIJMAP-UHFFFAOYSA-N
MW650.63 g/mol
LogP5.90
Rot. Bonds11

About 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide

4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 70980453) has the molecular formula C33H30F4N6O4 and a molecular weight of 650.63 g/mol. Its IUPAC name is 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID70980453
Molecular FormulaC33H30F4N6O4
Molecular Weight650.63 g/mol
Exact Mass650.23
IUPAC Name4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(Nc2nc3ccc(-c4ccc(NC(=O)Cc5ccc(F)cc5)cc4)cn3n2)cc1OCC(F)(F)F
InChIInChI=1S/C33H30F4N6O4/c1-32(2,46)18-38-30(45)26-13-12-25(16-27(26)47-19-33(35,36)37)40-31-41-28-14-7-22(17-43(28)42-31)21-5-10-24(11-6-21)39-29(44)15-20-3-8-23(34)9-4-20/h3-14,16-17,46H,15,18-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,42)
InChIKeyCTBRSOPMOIJMAP-UHFFFAOYSA-N
XLogP5.90
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.63
LogP ≤ 55.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide with MolForge

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Related Compounds

4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 89157127
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 66574816
3-ethoxy-4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)benzamide
CID 66574855
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 90034274
3-ethoxy-N-ethyl-4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 66574856
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 70980322
3-ethoxy-4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 66574744
3-ethoxy-4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 90034248
3-ethoxy-4-[[6-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)benzamide
CID 66574961
5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 159121182
2-(4-fluorophenyl)-N-[4-[2-[4-(methanesulfonamido)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 70980261
2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 54769275

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide (CID 70980453) is 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide is CC(C)(O)CNC(=O)c1ccc(Nc2nc3ccc(-c4ccc(NC(=O)Cc5ccc(F)cc5)cc4)cn3n2)cc1OCC(F)(F)F.
What is the InChIKey of 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is CTBRSOPMOIJMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F4N6O4/c1-32(2,46)18-38-30(45)26-13-12-25(16-27(26)47-19-33(35,36)37)40-31-41-28-14-7-22(17-43(28)42-31)21-5-10-24(11-6-21)39-29(44)15-20-3-8-23(34)9-4-20/h3-14,16-17,46H,15,18-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,42).
What are the key properties of 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide?
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 650.63 g/mol, XLogP of 5.90, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 70980453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).