4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one

C18H14ClF3N4O3 — CID 51357005

IUPAC4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1=O
InChIInChI=1S/C18H14ClF3N4O3/c1-24-3-4-25(8-13(24)27)17(28)14-15(19)26-7-11(10-2-5-29-9-10)6-12(16(26)23-14)18(20,21)22/h2,5-7,9H,3-4,8H2,1H3
InChIKeyPOFVCANAWDSVAY-UHFFFAOYSA-N
MW426.78 g/mol
LogP3.18
Rot. Bonds2

About 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one (PubChem CID 51357005) has the molecular formula C18H14ClF3N4O3 and a molecular weight of 426.78 g/mol. Its IUPAC name is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one
PubChem CID51357005
Molecular FormulaC18H14ClF3N4O3
Molecular Weight426.78 g/mol
Exact Mass426.07
IUPAC Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1=O
InChIInChI=1S/C18H14ClF3N4O3/c1-24-3-4-25(8-13(24)27)17(28)14-15(19)26-7-11(10-2-5-29-9-10)6-12(16(26)23-14)18(20,21)22/h2,5-7,9H,3-4,8H2,1H3
InChIKeyPOFVCANAWDSVAY-UHFFFAOYSA-N
XLogP3.18
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.78
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one (CID 51357005) is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1=O.
What is the InChIKey of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is POFVCANAWDSVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O3/c1-24-3-4-25(8-13(24)27)17(28)14-15(19)26-7-11(10-2-5-29-9-10)6-12(16(26)23-14)18(20,21)22/h2,5-7,9H,3-4,8H2,1H3.
What are the key properties of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one?
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 426.78 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 51357005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).