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

C20H16ClF4N3O3 — CID 162763678

IUPAC6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1F)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C20H16ClF4N3O3/c21-11-5-13(12-3-1-2-4-17(12)31-10-20(23,24)25)18-26-15(7-28(18)6-11)19(29)27-16-9-30-8-14(16)22/h1-7,14,16H,8-10H2,(H,27,29)/t14-,16-/m0/s1
InChIKeyJVBUUSJFANAVAJ-HOCLYGCPSA-N
MW457.81 g/mol
LogP4.06
Rot. Bonds5

About 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763678) has the molecular formula C20H16ClF4N3O3 and a molecular weight of 457.81 g/mol. Its IUPAC name is 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763678
Molecular FormulaC20H16ClF4N3O3
Molecular Weight457.81 g/mol
Exact Mass457.08
IUPAC Name6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1F)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C20H16ClF4N3O3/c21-11-5-13(12-3-1-2-4-17(12)31-10-20(23,24)25)18-26-15(7-28(18)6-11)19(29)27-16-9-30-8-14(16)22/h1-7,14,16H,8-10H2,(H,27,29)/t14-,16-/m0/s1
InChIKeyJVBUUSJFANAVAJ-HOCLYGCPSA-N
XLogP4.06
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763678) is 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1COC[C@@H]1F)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JVBUUSJFANAVAJ-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H16ClF4N3O3/c21-11-5-13(12-3-1-2-4-17(12)31-10-20(23,24)25)18-26-15(7-28(18)6-11)19(29)27-16-9-30-8-14(16)22/h1-7,14,16H,8-10H2,(H,27,29)/t14-,16-/m0/s1.
What are the key properties of 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 457.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S,4R)-4-fluorooxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).