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

C21H20F3N3O3 — CID 162763730

IUPACN-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](O)C1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)12-30-18-6-2-1-4-15(18)16-5-3-9-27-11-17(26-19(16)27)20(29)25-13-7-8-14(28)10-13/h1-6,9,11,13-14,28H,7-8,10,12H2,(H,25,29)/t13-,14-/m0/s1
InChIKeyNAZHUMNGBAVQAC-KBPBESRZSA-N
MW419.40 g/mol
LogP3.59
Rot. Bonds5

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

N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763730) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763730
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CC[C@H](O)C1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H20F3N3O3/c22-21(23,24)12-30-18-6-2-1-4-15(18)16-5-3-9-27-11-17(26-19(16)27)20(29)25-13-7-8-14(28)10-13/h1-6,9,11,13-14,28H,7-8,10,12H2,(H,25,29)/t13-,14-/m0/s1
InChIKeyNAZHUMNGBAVQAC-KBPBESRZSA-N
XLogP3.59
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763730) is N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1CC[C@H](O)C1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NAZHUMNGBAVQAC-KBPBESRZSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c22-21(23,24)12-30-18-6-2-1-4-15(18)16-5-3-9-27-11-17(26-19(16)27)20(29)25-13-7-8-14(28)10-13/h1-6,9,11,13-14,28H,7-8,10,12H2,(H,25,29)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-hydroxycyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).