N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H20F4N4O2 — CID 162763666

IUPACN-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CNCC[C@H]1F)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H20F4N4O2/c22-15-7-8-26-10-16(15)28-20(30)17-11-29-9-3-5-14(19(29)27-17)13-4-1-2-6-18(13)31-12-21(23,24)25/h1-6,9,11,15-16,26H,7-8,10,12H2,(H,28,30)/t15-,16-/m1/s1
InChIKeyNRJJFKNNSKJRAU-HZPDHXFCSA-N
MW436.41 g/mol
LogP3.37
Rot. Bonds5

About N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763666) has the molecular formula C21H20F4N4O2 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763666
Molecular FormulaC21H20F4N4O2
Molecular Weight436.41 g/mol
Exact Mass436.15
IUPAC NameN-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CNCC[C@H]1F)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H20F4N4O2/c22-15-7-8-26-10-16(15)28-20(30)17-11-29-9-3-5-14(19(29)27-17)13-4-1-2-6-18(13)31-12-21(23,24)25/h1-6,9,11,15-16,26H,7-8,10,12H2,(H,28,30)/t15-,16-/m1/s1
InChIKeyNRJJFKNNSKJRAU-HZPDHXFCSA-N
XLogP3.37
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763666) is N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@@H]1CNCC[C@H]1F)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NRJJFKNNSKJRAU-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H20F4N4O2/c22-15-7-8-26-10-16(15)28-20(30)17-11-29-9-3-5-14(19(29)27-17)13-4-1-2-6-18(13)31-12-21(23,24)25/h1-6,9,11,15-16,26H,7-8,10,12H2,(H,28,30)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-fluoropiperidin-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).