1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide

C20H19F3N4O3 — CID 46865009

IUPAC1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C20H19F3N4O3/c1-12(28)27-5-2-3-17(27)19(29)24-8-15-10-26-9-14(13-4-6-30-11-13)7-16(18(26)25-15)20(21,22)23/h4,6-7,9-11,17H,2-3,5,8H2,1H3,(H,24,29)
InChIKeyUNROBRAZJUYLAO-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.24
Rot. Bonds4

About 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide

1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 46865009) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID46865009
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C20H19F3N4O3/c1-12(28)27-5-2-3-17(27)19(29)24-8-15-10-26-9-14(13-4-6-30-11-13)7-16(18(26)25-15)20(21,22)23/h4,6-7,9-11,17H,2-3,5,8H2,1H3,(H,24,29)
InChIKeyUNROBRAZJUYLAO-UHFFFAOYSA-N
XLogP3.24
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide (CID 46865009) is 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is UNROBRAZJUYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-12(28)27-5-2-3-17(27)19(29)24-8-15-10-26-9-14(13-4-6-30-11-13)7-16(18(26)25-15)20(21,22)23/h4,6-7,9-11,17H,2-3,5,8H2,1H3,(H,24,29).
What are the key properties of 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46865009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).