N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C23H24F3N3O3 — CID 162763683

IUPACN-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](CO)C1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)14-32-20-9-2-1-7-17(20)18-8-4-10-29-12-19(28-21(18)29)22(31)27-16-6-3-5-15(11-16)13-30/h1-2,4,7-10,12,15-16,30H,3,5-6,11,13-14H2,(H,27,31)/t15-,16+/m0/s1
InChIKeyGWUJGHMQRIJBRP-JKSUJKDBSA-N
MW447.46 g/mol
LogP4.22
Rot. Bonds6

About N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763683) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763683
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](CO)C1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)14-32-20-9-2-1-7-17(20)18-8-4-10-29-12-19(28-21(18)29)22(31)27-16-6-3-5-15(11-16)13-30/h1-2,4,7-10,12,15-16,30H,3,5-6,11,13-14H2,(H,27,31)/t15-,16+/m0/s1
InChIKeyGWUJGHMQRIJBRP-JKSUJKDBSA-N
XLogP4.22
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763683) is N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@@H]1CCC[C@H](CO)C1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GWUJGHMQRIJBRP-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c24-23(25,26)14-32-20-9-2-1-7-17(20)18-8-4-10-29-12-19(28-21(18)29)22(31)27-16-6-3-5-15(11-16)13-30/h1-2,4,7-10,12,15-16,30H,3,5-6,11,13-14H2,(H,27,31)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).