1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide

C21H19F4N3O — CID 167759148

IUPAC1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCC1(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C21H19F4N3O/c1-2-20(9-10-20)19(29)26-11-16-18(13-3-6-15(22)7-4-13)27-17-8-5-14(12-28(16)17)21(23,24)25/h3-8,12H,2,9-11H2,1H3,(H,26,29)
InChIKeyRHBWVXALLBVDQK-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.97
Rot. Bonds5

About 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide

1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 167759148) has the molecular formula C21H19F4N3O and a molecular weight of 405.40 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID167759148
Molecular FormulaC21H19F4N3O
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC Name1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCC1(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C21H19F4N3O/c1-2-20(9-10-20)19(29)26-11-16-18(13-3-6-15(22)7-4-13)27-17-8-5-14(12-28(16)17)21(23,24)25/h3-8,12H,2,9-11H2,1H3,(H,26,29)
InChIKeyRHBWVXALLBVDQK-UHFFFAOYSA-N
XLogP4.97
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide (CID 167759148) is 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide is CCC1(C(=O)NCc2c(-c3ccc(F)cc3)nc3ccc(C(F)(F)F)cn23)CC1.
What is the InChIKey of 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is RHBWVXALLBVDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O/c1-2-20(9-10-20)19(29)26-11-16-18(13-3-6-15(22)7-4-13)27-17-8-5-14(12-28(16)17)21(23,24)25/h3-8,12H,2,9-11H2,1H3,(H,26,29).
What are the key properties of 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide?
1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167759148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).