[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

C24H15ClF6N4O2 — CID 46864950

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C24H15ClF6N4O2/c25-20-19(33-21-17(24(29,30)31)10-15(11-35(20)21)14-5-9-37-12-14)22(36)34-7-3-13(4-8-34)18-16(23(26,27)28)2-1-6-32-18/h1-3,5-6,9-12H,4,7-8H2
InChIKeyXGKHPGJVDHADLP-UHFFFAOYSA-N
MW540.85 g/mol
LogP6.61
Rot. Bonds3

About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864950) has the molecular formula C24H15ClF6N4O2 and a molecular weight of 540.85 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46864950
Molecular FormulaC24H15ClF6N4O2
Molecular Weight540.85 g/mol
Exact Mass540.08
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C24H15ClF6N4O2/c25-20-19(33-21-17(24(29,30)31)10-15(11-35(20)21)14-5-9-37-12-14)22(36)34-7-3-13(4-8-34)18-16(23(26,27)28)2-1-6-32-18/h1-3,5-6,9-12H,4,7-8H2
InChIKeyXGKHPGJVDHADLP-UHFFFAOYSA-N
XLogP6.61
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.85
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864950) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is XGKHPGJVDHADLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF6N4O2/c25-20-19(33-21-17(24(29,30)31)10-15(11-35(20)21)14-5-9-37-12-14)22(36)34-7-3-13(4-8-34)18-16(23(26,27)28)2-1-6-32-18/h1-3,5-6,9-12H,4,7-8H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 540.85 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).