N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C26H25F3N6O2 — CID 44556114

IUPACN-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN1CCC(NC(=O)c2ccc(Nc3nc4cccc(-c5ccc(OC(F)(F)F)cc5)n4n3)cc2)CC1
InChIInChI=1S/C26H25F3N6O2/c1-34-15-13-20(14-16-34)30-24(36)18-5-9-19(10-6-18)31-25-32-23-4-2-3-22(35(23)33-25)17-7-11-21(12-8-17)37-26(27,28)29/h2-12,20H,13-16H2,1H3,(H,30,36)(H,31,33)
InChIKeyUGLCMJQFNQBQQS-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.86
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44556114) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44556114
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC NameN-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN1CCC(NC(=O)c2ccc(Nc3nc4cccc(-c5ccc(OC(F)(F)F)cc5)n4n3)cc2)CC1
InChIInChI=1S/C26H25F3N6O2/c1-34-15-13-20(14-16-34)30-24(36)18-5-9-19(10-6-18)31-25-32-23-4-2-3-22(35(23)33-25)17-7-11-21(12-8-17)37-26(27,28)29/h2-12,20H,13-16H2,1H3,(H,30,36)(H,31,33)
InChIKeyUGLCMJQFNQBQQS-UHFFFAOYSA-N
XLogP4.86
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44556114) is N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CN1CCC(NC(=O)c2ccc(Nc3nc4cccc(-c5ccc(OC(F)(F)F)cc5)n4n3)cc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is UGLCMJQFNQBQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-34-15-13-20(14-16-34)30-24(36)18-5-9-19(10-6-18)31-25-32-23-4-2-3-22(35(23)33-25)17-7-11-21(12-8-17)37-26(27,28)29/h2-12,20H,13-16H2,1H3,(H,30,36)(H,31,33).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 510.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44556114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).