N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C22H22F3N3O3 — CID 162763790

IUPACN-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)14-31-18-8-2-1-6-15(18)16-7-5-11-28-12-17(26-19(16)28)20(30)27-21(13-29)9-3-4-10-21/h1-2,5-8,11-12,29H,3-4,9-10,13-14H2,(H,27,30)
InChIKeyGTWOIFSXGOPRKU-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.98
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763790) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763790
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)14-31-18-8-2-1-6-15(18)16-7-5-11-28-12-17(26-19(16)28)20(30)27-21(13-29)9-3-4-10-21/h1-2,5-8,11-12,29H,3-4,9-10,13-14H2,(H,27,30)
InChIKeyGTWOIFSXGOPRKU-UHFFFAOYSA-N
XLogP3.98
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763790) is N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1(CO)CCCC1)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GTWOIFSXGOPRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c23-22(24,25)14-31-18-8-2-1-6-15(18)16-7-5-11-28-12-17(26-19(16)28)20(30)27-21(13-29)9-3-4-10-21/h1-2,5-8,11-12,29H,3-4,9-10,13-14H2,(H,27,30).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).