N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide

C21H14ClF3N6O2 — CID 164834361

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c(Cl)cn1)C1(Oc2ccc(-c3cnc4cnccn34)cn2)CC1
InChIInChI=1S/C21H14ClF3N6O2/c22-14-9-27-16(7-13(14)21(23,24)25)30-19(32)20(3-4-20)33-18-2-1-12(8-29-18)15-10-28-17-11-26-5-6-31(15)17/h1-2,5-11H,3-4H2,(H,27,30,32)
InChIKeyMEVNVEMEZHTFKX-UHFFFAOYSA-N
MW474.83 g/mol
LogP4.41
Rot. Bonds5

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide (PubChem CID 164834361) has the molecular formula C21H14ClF3N6O2 and a molecular weight of 474.83 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide
PubChem CID164834361
Molecular FormulaC21H14ClF3N6O2
Molecular Weight474.83 g/mol
Exact Mass474.08
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c(Cl)cn1)C1(Oc2ccc(-c3cnc4cnccn34)cn2)CC1
InChIInChI=1S/C21H14ClF3N6O2/c22-14-9-27-16(7-13(14)21(23,24)25)30-19(32)20(3-4-20)33-18-2-1-12(8-29-18)15-10-28-17-11-26-5-6-31(15)17/h1-2,5-11H,3-4H2,(H,27,30,32)
InChIKeyMEVNVEMEZHTFKX-UHFFFAOYSA-N
XLogP4.41
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[4-(trifluoromethyl)pyridin-2-yl]urea
CID 11990802
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetamide
CID 122445521
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide
CID 3587956
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 3654746
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide
CID 3466001
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
CID 4688661
2-(4-chlorophenoxy)-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694445
2-(4-chlorophenoxy)-N-[2-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694476
2-(4-chlorophenoxy)-N-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}acetamide
CID 53004128
N-[4-(4-chlorophenyl)-3-pyrrolo[2,3-b]pyridin-1-ylbutan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
CID 9984492
2-(3-chlorophenoxy)-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 53260787
1-[4-(3,5-Dichloropyridin-4-yl)piperazin-1-yl]-2-[[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
CID 56649455

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide (CID 164834361) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide is O=C(Nc1cc(C(F)(F)F)c(Cl)cn1)C1(Oc2ccc(-c3cnc4cnccn34)cn2)CC1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide?
The InChIKey is MEVNVEMEZHTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N6O2/c22-14-9-27-16(7-13(14)21(23,24)25)30-19(32)20(3-4-20)33-18-2-1-12(8-29-18)15-10-28-17-11-26-5-6-31(15)17/h1-2,5-11H,3-4H2,(H,27,30,32).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide has a molecular weight of 474.83 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 164834361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).