4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one

C21H19F4N7O3S — CID 71522839

IUPAC4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2cc3nccn3c(-c3cnn(C4(CCF)CN(S(=O)(=O)C(F)(F)F)C4)c3)n2)cc1=O
InChIInChI=1S/C21H19F4N7O3S/c1-29-6-2-14(8-18(29)33)16-9-17-26-5-7-31(17)19(28-16)15-10-27-32(11-15)20(3-4-22)12-30(13-20)36(34,35)21(23,24)25/h2,5-11H,3-4,12-13H2,1H3
InChIKeyOIZBWXLRMCBTID-UHFFFAOYSA-N
MW525.49 g/mol
LogP2.18
Rot. Bonds6

About 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one

4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one (PubChem CID 71522839) has the molecular formula C21H19F4N7O3S and a molecular weight of 525.49 g/mol. Its IUPAC name is 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one
PubChem CID71522839
Molecular FormulaC21H19F4N7O3S
Molecular Weight525.49 g/mol
Exact Mass525.12
IUPAC Name4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2cc3nccn3c(-c3cnn(C4(CCF)CN(S(=O)(=O)C(F)(F)F)C4)c3)n2)cc1=O
InChIInChI=1S/C21H19F4N7O3S/c1-29-6-2-14(8-18(29)33)16-9-17-26-5-7-31(17)19(28-16)15-10-27-32(11-15)20(3-4-22)12-30(13-20)36(34,35)21(23,24)25/h2,5-11H,3-4,12-13H2,1H3
InChIKeyOIZBWXLRMCBTID-UHFFFAOYSA-N
XLogP2.18
TPSA107.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one (CID 71522839) is 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one is Cn1ccc(-c2cc3nccn3c(-c3cnn(C4(CCF)CN(S(=O)(=O)C(F)(F)F)C4)c3)n2)cc1=O.
What is the InChIKey of 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one?
The InChIKey is OIZBWXLRMCBTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N7O3S/c1-29-6-2-14(8-18(29)33)16-9-17-26-5-7-31(17)19(28-16)15-10-27-32(11-15)20(3-4-22)12-30(13-20)36(34,35)21(23,24)25/h2,5-11H,3-4,12-13H2,1H3.
What are the key properties of 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one?
4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one has a molecular weight of 525.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[3-(2-fluoroethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]imidazo[1,2-c]pyrimidin-7-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 71522839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).