2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide

C22H27F6N3O2 — CID 24809577

IUPAC2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(C)c1nc2cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccn2c1CC1CCOCC1
InChIInChI=1S/C22H27F6N3O2/c1-20(2,3)18-16(10-14-5-8-33-9-6-14)31-7-4-15(11-17(31)29-18)19(32)30(12-21(23,24)25)13-22(26,27)28/h4,7,11,14H,5-6,8-10,12-13H2,1-3H3
InChIKeyZJJRXHWIXTZPPH-UHFFFAOYSA-N
MW479.47 g/mol
LogP5.17
Rot. Bonds5

About 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide

2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 24809577) has the molecular formula C22H27F6N3O2 and a molecular weight of 479.47 g/mol. Its IUPAC name is 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID24809577
Molecular FormulaC22H27F6N3O2
Molecular Weight479.47 g/mol
Exact Mass479.20
IUPAC Name2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(C)c1nc2cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccn2c1CC1CCOCC1
InChIInChI=1S/C22H27F6N3O2/c1-20(2,3)18-16(10-14-5-8-33-9-6-14)31-7-4-15(11-17(31)29-18)19(32)30(12-21(23,24)25)13-22(26,27)28/h4,7,11,14H,5-6,8-10,12-13H2,1-3H3
InChIKeyZJJRXHWIXTZPPH-UHFFFAOYSA-N
XLogP5.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide (CID 24809577) is 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide is CC(C)(C)c1nc2cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccn2c1CC1CCOCC1.
What is the InChIKey of 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is ZJJRXHWIXTZPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F6N3O2/c1-20(2,3)18-16(10-14-5-8-33-9-6-14)31-7-4-15(11-17(31)29-18)19(32)30(12-21(23,24)25)13-22(26,27)28/h4,7,11,14H,5-6,8-10,12-13H2,1-3H3.
What are the key properties of 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide?
2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 479.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 24809577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).