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

C21H16ClF3N6O2 — CID 46864909

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(Nc2ncccn2)C1
InChIInChI=1S/C21H16ClF3N6O2/c22-17-16(19(32)30-6-2-14(10-30)28-20-26-4-1-5-27-20)29-18-15(21(23,24)25)8-13(9-31(17)18)12-3-7-33-11-12/h1,3-5,7-9,11,14H,2,6,10H2,(H,26,27,28)
InChIKeyHHRPCZLNFNEJNH-UHFFFAOYSA-N
MW476.85 g/mol
LogP4.38
Rot. Bonds4

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

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone (PubChem CID 46864909) has the molecular formula C21H16ClF3N6O2 and a molecular weight of 476.85 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone
PubChem CID46864909
Molecular FormulaC21H16ClF3N6O2
Molecular Weight476.85 g/mol
Exact Mass476.10
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(Nc2ncccn2)C1
InChIInChI=1S/C21H16ClF3N6O2/c22-17-16(19(32)30-6-2-14(10-30)28-20-26-4-1-5-27-20)29-18-15(21(23,24)25)8-13(9-31(17)18)12-3-7-33-11-12/h1,3-5,7-9,11,14H,2,6,10H2,(H,26,27,28)
InChIKeyHHRPCZLNFNEJNH-UHFFFAOYSA-N
XLogP4.38
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone (CID 46864909) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(Nc2ncccn2)C1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone?
The InChIKey is HHRPCZLNFNEJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N6O2/c22-17-16(19(32)30-6-2-14(10-30)28-20-26-4-1-5-27-20)29-18-15(21(23,24)25)8-13(9-31(17)18)12-3-7-33-11-12/h1,3-5,7-9,11,14H,2,6,10H2,(H,26,27,28).
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone has a molecular weight of 476.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]-[3-(pyrimidin-2-ylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46864909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).