7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one

C20H18F3NO5S — CID 118028094

IUPAC7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2oc(C(F)(F)F)cc2c1=O
InChIInChI=1S/C20H18F3NO5S/c1-24-9-15(18-14(19(24)25)8-17(29-18)20(21,22)23)13-7-12(30(2,26)27)5-6-16(13)28-10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3
InChIKeyPPVBXKIDXMNVTC-UHFFFAOYSA-N
MW441.43 g/mol
LogP4.01
Rot. Bonds5

About 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one

7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one (PubChem CID 118028094) has the molecular formula C20H18F3NO5S and a molecular weight of 441.43 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one
PubChem CID118028094
Molecular FormulaC20H18F3NO5S
Molecular Weight441.43 g/mol
Exact Mass441.09
IUPAC Name7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2oc(C(F)(F)F)cc2c1=O
InChIInChI=1S/C20H18F3NO5S/c1-24-9-15(18-14(19(24)25)8-17(29-18)20(21,22)23)13-7-12(30(2,26)27)5-6-16(13)28-10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3
InChIKeyPPVBXKIDXMNVTC-UHFFFAOYSA-N
XLogP4.01
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

(S)-(4-methoxyisoindolin-2-yl)(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)methanone
CID 53321255
US10023592, Example 90
CID 118021461
US10023592, Example 91
CID 118021832
US10023592, Example 197
CID 118023048
(S)-isoindolin-2-yl(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)methanone
CID 53326450
US10023592, Example 378
CID 118022090
US10023592, Example 377
CID 118022339
US10941160, Example 378
CID 123828294
[5-Methylsulfonyl-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 23634511
[2-(Cyclobutylmethoxy)-5-methylsulfonylphenyl]-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 24780641
[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 24780643
[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[3-[[4-(trifluoromethoxy)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 24780784

Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one (CID 118028094) is 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one is Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)c2oc(C(F)(F)F)cc2c1=O.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one?
The InChIKey is PPVBXKIDXMNVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO5S/c1-24-9-15(18-14(19(24)25)8-17(29-18)20(21,22)23)13-7-12(30(2,26)27)5-6-16(13)28-10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one?
7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one has a molecular weight of 441.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 118028094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).