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

C23H16ClF3N4O2S — CID 46864715

IUPAC1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile
SMILESN#CC1(c2cccs2)CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
InChIInChI=1S/C23H16ClF3N4O2S/c24-19-18(21(32)30-6-4-22(13-28,5-7-30)17-2-1-9-34-17)29-20-16(23(25,26)27)10-15(11-31(19)20)14-3-8-33-12-14/h1-3,8-12H,4-7H2
InChIKeyDCMVYUQOFOPWMV-UHFFFAOYSA-N
MW504.92 g/mol
LogP6.03
Rot. Bonds3

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

1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile (PubChem CID 46864715) has the molecular formula C23H16ClF3N4O2S and a molecular weight of 504.92 g/mol. Its IUPAC name is 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile
PubChem CID46864715
Molecular FormulaC23H16ClF3N4O2S
Molecular Weight504.92 g/mol
Exact Mass504.06
IUPAC Name1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile
SMILESN#CC1(c2cccs2)CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
InChIInChI=1S/C23H16ClF3N4O2S/c24-19-18(21(32)30-6-4-22(13-28,5-7-30)17-2-1-9-34-17)29-20-16(23(25,26)27)10-15(11-31(19)20)14-3-8-33-12-14/h1-3,8-12H,4-7H2
InChIKeyDCMVYUQOFOPWMV-UHFFFAOYSA-N
XLogP6.03
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.92
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile?
The IUPAC name of 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile (CID 46864715) is 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile is N#CC1(c2cccs2)CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.
What is the InChIKey of 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile?
The InChIKey is DCMVYUQOFOPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O2S/c24-19-18(21(32)30-6-4-22(13-28,5-7-30)17-2-1-9-34-17)29-20-16(23(25,26)27)10-15(11-31(19)20)14-3-8-33-12-14/h1-3,8-12H,4-7H2.
What are the key properties of 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile?
1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile has a molecular weight of 504.92 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-thiophen-2-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 46864715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).