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

C22H20ClF4N3O3 — CID 162763673

IUPAC6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](O)C[C@H]1F)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H20ClF4N3O3/c23-12-7-15(14-3-1-2-4-19(14)33-11-22(25,26)27)20-28-18(10-30(20)9-12)21(32)29-17-6-5-13(31)8-16(17)24/h1-4,7,9-10,13,16-17,31H,5-6,8,11H2,(H,29,32)/t13-,16+,17-/m0/s1
InChIKeyNZRLPGHGAQOQFA-XKQJLSEDSA-N
MW485.87 g/mol
LogP4.58
Rot. Bonds5

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

6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763673) has the molecular formula C22H20ClF4N3O3 and a molecular weight of 485.87 g/mol. Its IUPAC name is 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763673
Molecular FormulaC22H20ClF4N3O3
Molecular Weight485.87 g/mol
Exact Mass485.11
IUPAC Name6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](O)C[C@H]1F)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H20ClF4N3O3/c23-12-7-15(14-3-1-2-4-19(14)33-11-22(25,26)27)20-28-18(10-30(20)9-12)21(32)29-17-6-5-13(31)8-16(17)24/h1-4,7,9-10,13,16-17,31H,5-6,8,11H2,(H,29,32)/t13-,16+,17-/m0/s1
InChIKeyNZRLPGHGAQOQFA-XKQJLSEDSA-N
XLogP4.58
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.87
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763673) is 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1CC[C@H](O)C[C@H]1F)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NZRLPGHGAQOQFA-XKQJLSEDSA-N. The full InChI is InChI=1S/C22H20ClF4N3O3/c23-12-7-15(14-3-1-2-4-19(14)33-11-22(25,26)27)20-28-18(10-30(20)9-12)21(32)29-17-6-5-13(31)8-16(17)24/h1-4,7,9-10,13,16-17,31H,5-6,8,11H2,(H,29,32)/t13-,16+,17-/m0/s1.
What are the key properties of 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 485.87 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).