Products for Research Use Only

OM-1700

CAT: 0013-GTR19185707-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19185707-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
OM-1700
CAS Number
2406276-78-4
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
FC1=C (N2C (=NN=C2C3=CC=C (OCC) C=N3) [C@@H]4C[C@@H] (NC (=O) C5=CC=CC=N5) C4) C=CC=C1
Molecular Formula
C25H23FN6O2
Molecular Weight
458.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CAS Number2406276-78-4
PubChem CID146282358
IUPAC NameN-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
Molecular FormulaC25H23FN6O2
Molecular Weight458.5
XLogP3
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity680
SMILES
CCOC1=CN=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)C4CC(C4)NC(=O)C5=CC=CC=N5
InChI
InChI=1S/C25H23FN6O2/c1-2-34-18-10-11-20(28-15-18)24-31-30-23(32(24)22-9-4-3-7-19(22)26)16-13-17(14-16)29-25(33)21-8-5-6-12-27-21/h3-12,15-17H,2,13-14H2,1H3,(H,29,33)
InChIKey
ZBRBBDJXHBEGHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CAS: 2406276-78-4
CID: 146282358
Formula: C25H23FN6O2
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass458.18665216
Monoisotopic Mass458.18665216
Topological Polar Surface Area94.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes