N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide

C24H24N6O2 — CID 78898532

IUPACN-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide
SMILESCC(Nc1cc(-c2ccccc2)nc2ncnn12)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C24H24N6O2/c1-16(17-7-11-20(12-8-17)32-14-23(31)28-19-9-10-19)27-22-13-21(18-5-3-2-4-6-18)29-24-25-15-26-30(22)24/h2-8,11-13,15-16,19,27H,9-10,14H2,1H3,(H,28,31)
InChIKeyVRCXJEYVNAYGAF-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.62
Rot. Bonds8

About N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide

N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide (PubChem CID 78898532) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide
PubChem CID78898532
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide
SMILESCC(Nc1cc(-c2ccccc2)nc2ncnn12)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C24H24N6O2/c1-16(17-7-11-20(12-8-17)32-14-23(31)28-19-9-10-19)27-22-13-21(18-5-3-2-4-6-18)29-24-25-15-26-30(22)24/h2-8,11-13,15-16,19,27H,9-10,14H2,1H3,(H,28,31)
InChIKeyVRCXJEYVNAYGAF-UHFFFAOYSA-N
XLogP3.62
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide (CID 78898532) is N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide is CC(Nc1cc(-c2ccccc2)nc2ncnn12)c1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide?
The InChIKey is VRCXJEYVNAYGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16(17-7-11-20(12-8-17)32-14-23(31)28-19-9-10-19)27-22-13-21(18-5-3-2-4-6-18)29-24-25-15-26-30(22)24/h2-8,11-13,15-16,19,27H,9-10,14H2,1H3,(H,28,31).
What are the key properties of N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide?
N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide has a molecular weight of 428.50 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 78898532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).