N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid

C28H28F3N5O6 — CID 154998277

IUPACN-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(C56COC(C)(C5)C6)nc4cc3OC(C)C)co2)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H27N5O4.C2HF3O2/c1-15(2)35-20-8-22-30-21(26-12-25(4,13-26)34-14-26)10-31(22)9-18(20)28-23(32)19-11-33-24(29-19)17-5-6-27-16(3)7-17;3-2(4,5)1(6)7/h5-11,15H,12-14H2,1-4H3,(H,28,32);(H,6,7)
InChIKeyLWSKZWMCGPHBRM-UHFFFAOYSA-N
MW587.56 g/mol
LogP5.19
Rot. Bonds6

About N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998277) has the molecular formula C28H28F3N5O6 and a molecular weight of 587.56 g/mol. Its IUPAC name is N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998277
Molecular FormulaC28H28F3N5O6
Molecular Weight587.56 g/mol
Exact Mass587.20
IUPAC NameN-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(C56COC(C)(C5)C6)nc4cc3OC(C)C)co2)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H27N5O4.C2HF3O2/c1-15(2)35-20-8-22-30-21(26-12-25(4,13-26)34-14-26)10-31(22)9-18(20)28-23(32)19-11-33-24(29-19)17-5-6-27-16(3)7-17;3-2(4,5)1(6)7/h5-11,15H,12-14H2,1-4H3,(H,28,32);(H,6,7)
InChIKeyLWSKZWMCGPHBRM-UHFFFAOYSA-N
XLogP5.19
TPSA141.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.56
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 154998277) is N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(-c2nc(C(=O)Nc3cn4cc(C56COC(C)(C5)C6)nc4cc3OC(C)C)co2)ccn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LWSKZWMCGPHBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4.C2HF3O2/c1-15(2)35-20-8-22-30-21(26-12-25(4,13-26)34-14-26)10-31(22)9-18(20)28-23(32)19-11-33-24(29-19)17-5-6-27-16(3)7-17;3-2(4,5)1(6)7/h5-11,15H,12-14H2,1-4H3,(H,28,32);(H,6,7).
What are the key properties of N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 587.56 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).