N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H20ClF3N4O3 — CID 154655465

IUPACN-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1c(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1Cl
InChIInChI=1S/C22H20ClF3N4O3/c1-3-32-17-13(28-19(31)12-5-4-6-14(27-12)22(24,25)26)7-30-8-15(29-18(30)16(17)23)21-9-20(2,10-21)33-11-21/h4-8H,3,9-11H2,1-2H3,(H,28,31)
InChIKeyJFYFRJFRTDPPOG-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.87
Rot. Bonds5

About N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655465) has the molecular formula C22H20ClF3N4O3 and a molecular weight of 480.87 g/mol. Its IUPAC name is N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655465
Molecular FormulaC22H20ClF3N4O3
Molecular Weight480.87 g/mol
Exact Mass480.12
IUPAC NameN-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1c(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1Cl
InChIInChI=1S/C22H20ClF3N4O3/c1-3-32-17-13(28-19(31)12-5-4-6-14(27-12)22(24,25)26)7-30-8-15(29-18(30)16(17)23)21-9-20(2,10-21)33-11-21/h4-8H,3,9-11H2,1-2H3,(H,28,31)
InChIKeyJFYFRJFRTDPPOG-UHFFFAOYSA-N
XLogP4.87
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998121
8-ethoxy-N-(2-methoxy-3-pyridinyl)-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437199
N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437004
6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide
CID 154655651
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655358
phenyl 8-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 155437092
8-methoxy-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437215
8-methoxy-N-(2-methoxy-3-pyridinyl)-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437266
N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705662
8-ethoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxylic acid
CID 155437419
3-fluoro-2-methoxy-N-[8-methoxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide;2,2,2-trifluoroacetic acid
CID 154998193
N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998188

Frequently Asked Questions

What is the IUPAC name of N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655465) is N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1c(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1Cl.
What is the InChIKey of N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JFYFRJFRTDPPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O3/c1-3-32-17-13(28-19(31)12-5-4-6-14(27-12)22(24,25)26)7-30-8-15(29-18(30)16(17)23)21-9-20(2,10-21)33-11-21/h4-8H,3,9-11H2,1-2H3,(H,28,31).
What are the key properties of N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 480.87 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).