(2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one

C19H19F2N5O4S — CID 164872061

IUPAC(2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one
SMILESO=C([C@@H](CO)c1ccccc1F)N1Cc2cn(S(=O)(=O)c3cnn(CCF)c3)nc2C1
InChIInChI=1S/C19H19F2N5O4S/c20-5-6-25-10-14(7-22-25)31(29,30)26-9-13-8-24(11-18(13)23-26)19(28)16(12-27)15-3-1-2-4-17(15)21/h1-4,7,9-10,16,27H,5-6,8,11-12H2/t16-/m0/s1
InChIKeyQJKQLFGMGHHIKA-INIZCTEOSA-N
MW451.46 g/mol
LogP1.04
Rot. Bonds7

About (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one

(2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one (PubChem CID 164872061) has the molecular formula C19H19F2N5O4S and a molecular weight of 451.46 g/mol. Its IUPAC name is (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one
PubChem CID164872061
Molecular FormulaC19H19F2N5O4S
Molecular Weight451.46 g/mol
Exact Mass451.11
IUPAC Name(2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one
SMILESO=C([C@@H](CO)c1ccccc1F)N1Cc2cn(S(=O)(=O)c3cnn(CCF)c3)nc2C1
InChIInChI=1S/C19H19F2N5O4S/c20-5-6-25-10-14(7-22-25)31(29,30)26-9-13-8-24(11-18(13)23-26)19(28)16(12-27)15-3-1-2-4-17(15)21/h1-4,7,9-10,16,27H,5-6,8,11-12H2/t16-/m0/s1
InChIKeyQJKQLFGMGHHIKA-INIZCTEOSA-N
XLogP1.04
TPSA110.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one?
The IUPAC name of (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one (CID 164872061) is (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one is O=C([C@@H](CO)c1ccccc1F)N1Cc2cn(S(=O)(=O)c3cnn(CCF)c3)nc2C1.
What is the InChIKey of (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one?
The InChIKey is QJKQLFGMGHHIKA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F2N5O4S/c20-5-6-25-10-14(7-22-25)31(29,30)26-9-13-8-24(11-18(13)23-26)19(28)16(12-27)15-3-1-2-4-17(15)21/h1-4,7,9-10,16,27H,5-6,8,11-12H2/t16-/m0/s1.
What are the key properties of (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one?
(2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one has a molecular weight of 451.46 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[1-(2-fluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2-fluorophenyl)-3-hydroxypropan-1-one is sourced from PubChem (CID 164872061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).