N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide

C19H13ClF6N4O3 — CID 46864585

IUPACN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C19H13ClF6N4O3/c20-14-13(16(31)29-3-1-11(7-29)27-17(32)19(24,25)26)28-15-12(18(21,22)23)5-10(6-30(14)15)9-2-4-33-8-9/h2,4-6,8,11H,1,3,7H2,(H,27,32)
InChIKeyBDOFWXRYSIKXKN-UHFFFAOYSA-N
MW494.78 g/mol
LogP4.16
Rot. Bonds3

About N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide

N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 46864585) has the molecular formula C19H13ClF6N4O3 and a molecular weight of 494.78 g/mol. Its IUPAC name is N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID46864585
Molecular FormulaC19H13ClF6N4O3
Molecular Weight494.78 g/mol
Exact Mass494.06
IUPAC NameN-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C19H13ClF6N4O3/c20-14-13(16(31)29-3-1-11(7-29)27-17(32)19(24,25)26)28-15-12(18(21,22)23)5-10(6-30(14)15)9-2-4-33-8-9/h2,4-6,8,11H,1,3,7H2,(H,27,32)
InChIKeyBDOFWXRYSIKXKN-UHFFFAOYSA-N
XLogP4.16
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 46864585) is N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is BDOFWXRYSIKXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF6N4O3/c20-14-13(16(31)29-3-1-11(7-29)27-17(32)19(24,25)26)28-15-12(18(21,22)23)5-10(6-30(14)15)9-2-4-33-8-9/h2,4-6,8,11H,1,3,7H2,(H,27,32).
What are the key properties of N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 494.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 46864585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).