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

C22H22ClF3N4O2 — CID 59443952

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H22ClF3N4O2/c23-19-18(21(31)29-8-3-16(4-9-29)28-6-1-2-7-28)27-20-17(22(24,25)26)11-15(12-30(19)20)14-5-10-32-13-14/h5,10-13,16H,1-4,6-9H2
InChIKeyZCMINCVFSSVSEY-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.97
Rot. Bonds3

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

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 59443952) has the molecular formula C22H22ClF3N4O2 and a molecular weight of 466.89 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID59443952
Molecular FormulaC22H22ClF3N4O2
Molecular Weight466.89 g/mol
Exact Mass466.14
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C22H22ClF3N4O2/c23-19-18(21(31)29-8-3-16(4-9-29)28-6-1-2-7-28)27-20-17(22(24,25)26)11-15(12-30(19)20)14-5-10-32-13-14/h5,10-13,16H,1-4,6-9H2
InChIKeyZCMINCVFSSVSEY-UHFFFAOYSA-N
XLogP4.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 59443952) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-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-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is ZCMINCVFSSVSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O2/c23-19-18(21(31)29-8-3-16(4-9-29)28-6-1-2-7-28)27-20-17(22(24,25)26)11-15(12-30(19)20)14-5-10-32-13-14/h5,10-13,16H,1-4,6-9H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 466.89 g/mol, XLogP of 4.97, 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-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 59443952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).