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

C21H15ClF3N5O2 — CID 46864388

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncc[nH]2)CC1
InChIInChI=1S/C21H15ClF3N5O2/c22-17-16(20(31)29-6-1-12(2-7-29)18-26-4-5-27-18)28-19-15(21(23,24)25)9-14(10-30(17)19)13-3-8-32-11-13/h1,3-5,8-11H,2,6-7H2,(H,26,27)
InChIKeyOJEAECBJWHUYEY-UHFFFAOYSA-N
MW461.83 g/mol
LogP4.92
Rot. Bonds3

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

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864388) has the molecular formula C21H15ClF3N5O2 and a molecular weight of 461.83 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46864388
Molecular FormulaC21H15ClF3N5O2
Molecular Weight461.83 g/mol
Exact Mass461.09
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncc[nH]2)CC1
InChIInChI=1S/C21H15ClF3N5O2/c22-17-16(20(31)29-6-1-12(2-7-29)18-26-4-5-27-18)28-19-15(21(23,24)25)9-14(10-30(17)19)13-3-8-32-11-13/h1,3-5,8-11H,2,6-7H2,(H,26,27)
InChIKeyOJEAECBJWHUYEY-UHFFFAOYSA-N
XLogP4.92
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.83
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864388) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-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-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncc[nH]2)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is OJEAECBJWHUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O2/c22-17-16(20(31)29-6-1-12(2-7-29)18-26-4-5-27-18)28-19-15(21(23,24)25)9-14(10-30(17)19)13-3-8-32-11-13/h1,3-5,8-11H,2,6-7H2,(H,26,27).
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 461.83 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 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-(1H-imidazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).