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

C24H16ClF4N5O2 — CID 46864714

IUPAC1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ncccc2F)CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
InChIInChI=1S/C24H16ClF4N5O2/c25-20-18(22(35)33-7-4-23(13-30,5-8-33)19-17(26)2-1-6-31-19)32-21-16(24(27,28)29)10-15(11-34(20)21)14-3-9-36-12-14/h1-3,6,9-12H,4-5,7-8H2
InChIKeyJVZHKCKCMPLGJY-UHFFFAOYSA-N
MW517.87 g/mol
LogP5.50
Rot. Bonds3

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

1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile (PubChem CID 46864714) has the molecular formula C24H16ClF4N5O2 and a molecular weight of 517.87 g/mol. Its IUPAC name is 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile
PubChem CID46864714
Molecular FormulaC24H16ClF4N5O2
Molecular Weight517.87 g/mol
Exact Mass517.09
IUPAC Name1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1(c2ncccc2F)CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1
InChIInChI=1S/C24H16ClF4N5O2/c25-20-18(22(35)33-7-4-23(13-30,5-8-33)19-17(26)2-1-6-31-19)32-21-16(24(27,28)29)10-15(11-34(20)21)14-3-9-36-12-14/h1-3,6,9-12H,4-5,7-8H2
InChIKeyJVZHKCKCMPLGJY-UHFFFAOYSA-N
XLogP5.50
TPSA87.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.87
LogP ≤ 55.50
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-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile?
The IUPAC name of 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile (CID 46864714) is 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-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-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile is N#CC1(c2ncccc2F)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-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile?
The InChIKey is JVZHKCKCMPLGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF4N5O2/c25-20-18(22(35)33-7-4-23(13-30,5-8-33)19-17(26)2-1-6-31-19)32-21-16(24(27,28)29)10-15(11-34(20)21)14-3-9-36-12-14/h1-3,6,9-12H,4-5,7-8H2.
What are the key properties of 1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile?
1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile has a molecular weight of 517.87 g/mol, XLogP of 5.50, 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-(3-fluoro-2-pyridinyl)piperidine-4-carbonitrile is sourced from PubChem (CID 46864714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).