N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C44H40F3N9O4 — CID 90106929

IUPACN-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1nc2cccc(-c3ccc(OCc4ccccc4)cc3)n2n1.O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(C(F)(F)F)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H22F3N5O2.C21H18N4O2/c24-23(25,26)17-3-2-12-30(13-17)21(33)16-10-6-14(7-11-16)18-4-1-5-19-27-22(29-31(18)19)28-20(32)15-8-9-15;1-15(26)22-21-23-20-9-5-8-19(25(20)24-21)17-10-12-18(13-11-17)27-14-16-6-3-2-4-7-16/h1,4-7,10-11,15,17H,2-3,8-9,12-13H2,(H,28,29,32);2-13H,14H2,1H3,(H,22,24,26)
InChIKeyYULLFCQBMRVHLL-UHFFFAOYSA-N
MW815.86 g/mol
LogP8.09
Rot. Bonds9

About N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 90106929) has the molecular formula C44H40F3N9O4 and a molecular weight of 815.86 g/mol. Its IUPAC name is N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID90106929
Molecular FormulaC44H40F3N9O4
Molecular Weight815.86 g/mol
Exact Mass815.32
IUPAC NameN-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1nc2cccc(-c3ccc(OCc4ccccc4)cc3)n2n1.O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(C(F)(F)F)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C23H22F3N5O2.C21H18N4O2/c24-23(25,26)17-3-2-12-30(13-17)21(33)16-10-6-14(7-11-16)18-4-1-5-19-27-22(29-31(18)19)28-20(32)15-8-9-15;1-15(26)22-21-23-20-9-5-8-19(25(20)24-21)17-10-12-18(13-11-17)27-14-16-6-3-2-4-7-16/h1,4-7,10-11,15,17H,2-3,8-9,12-13H2,(H,28,29,32);2-13H,14H2,1H3,(H,22,24,26)
InChIKeyYULLFCQBMRVHLL-UHFFFAOYSA-N
XLogP8.09
TPSA148.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.86
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 90106929) is N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC(=O)Nc1nc2cccc(-c3ccc(OCc4ccccc4)cc3)n2n1.O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(C(F)(F)F)C4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is YULLFCQBMRVHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2.C21H18N4O2/c24-23(25,26)17-3-2-12-30(13-17)21(33)16-10-6-14(7-11-16)18-4-1-5-19-27-22(29-31(18)19)28-20(32)15-8-9-15;1-15(26)22-21-23-20-9-5-8-19(25(20)24-21)17-10-12-18(13-11-17)27-14-16-6-3-2-4-7-16/h1,4-7,10-11,15,17H,2-3,8-9,12-13H2,(H,28,29,32);2-13H,14H2,1H3,(H,22,24,26).
What are the key properties of N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 815.86 g/mol, XLogP of 8.09, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90106929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).