N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C23H17F4N5O2 — CID 44623823

IUPACN-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(OC(F)(F)F)cc4)cccn3n2)cc1F
InChIInChI=1S/C23H17F4N5O2/c24-19-12-15(7-10-18(19)21(33)28-14-5-6-14)29-22-30-20-17(2-1-11-32(20)31-22)13-3-8-16(9-4-13)34-23(25,26)27/h1-4,7-12,14H,5-6H2,(H,28,33)(H,29,31)
InChIKeyPQTIYDXFCFPEJU-UHFFFAOYSA-N
MW471.41 g/mol
LogP5.07
Rot. Bonds6

About N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44623823) has the molecular formula C23H17F4N5O2 and a molecular weight of 471.41 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44623823
Molecular FormulaC23H17F4N5O2
Molecular Weight471.41 g/mol
Exact Mass471.13
IUPAC NameN-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESO=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(OC(F)(F)F)cc4)cccn3n2)cc1F
InChIInChI=1S/C23H17F4N5O2/c24-19-12-15(7-10-18(19)21(33)28-14-5-6-14)29-22-30-20-17(2-1-11-32(20)31-22)13-3-8-16(9-4-13)34-23(25,26)27/h1-4,7-12,14H,5-6H2,(H,28,33)(H,29,31)
InChIKeyPQTIYDXFCFPEJU-UHFFFAOYSA-N
XLogP5.07
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.41
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US9555022, Example 02.09
CID 54768802
US9555022, Example 02.17
CID 54769502
US9555022, Example 02.44
CID 54770807
US9555022, Example 02.01
CID 54771711
US9663510, Example 01.07
CID 71577161
N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
N-cyclopropyl-4-[5-(2,3-difluoro-4-methoxyphenoxy)-7-(3,3,3-trifluoropropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 156015586
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
N-(4-(4-amino-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-2-fluoro-4-(trifluoromethyl)benzamide
CID 22346947
4-((8-(4-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino)benzoic acid
CID 44555004

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44623823) is N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is O=C(NC1CC1)c1ccc(Nc2nc3c(-c4ccc(OC(F)(F)F)cc4)cccn3n2)cc1F.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is PQTIYDXFCFPEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O2/c24-19-12-15(7-10-18(19)21(33)28-14-5-6-14)29-22-30-20-17(2-1-11-32(20)31-22)13-3-8-16(9-4-13)34-23(25,26)27/h1-4,7-12,14H,5-6H2,(H,28,33)(H,29,31).
What are the key properties of N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 471.41 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44623823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).