5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine

C19H20F2N6O2S — CID 90406046

IUPAC5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCc1cc(N[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2c2ncccc2F)ncc1F
InChIInChI=1S/C19H20F2N6O2S/c1-12-6-17(23-7-15(12)21)25-16-9-27(30(28,29)18-10-26(2)11-24-18)8-13(16)19-14(20)4-3-5-22-19/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,23,25)/t13-,16-/m1/s1
InChIKeyKWOGPLFBQZGKCT-CZUORRHYSA-N
MW434.47 g/mol
LogP2.07
Rot. Bonds5

About 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine

5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine (PubChem CID 90406046) has the molecular formula C19H20F2N6O2S and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine
PubChem CID90406046
Molecular FormulaC19H20F2N6O2S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC Name5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine
SMILESCc1cc(N[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2c2ncccc2F)ncc1F
InChIInChI=1S/C19H20F2N6O2S/c1-12-6-17(23-7-15(12)21)25-16-9-27(30(28,29)18-10-26(2)11-24-18)8-13(16)19-14(20)4-3-5-22-19/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,23,25)/t13-,16-/m1/s1
InChIKeyKWOGPLFBQZGKCT-CZUORRHYSA-N
XLogP2.07
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine (CID 90406046) is 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine is Cc1cc(N[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2c2ncccc2F)ncc1F.
What is the InChIKey of 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine?
The InChIKey is KWOGPLFBQZGKCT-CZUORRHYSA-N. The full InChI is InChI=1S/C19H20F2N6O2S/c1-12-6-17(23-7-15(12)21)25-16-9-27(30(28,29)18-10-26(2)11-24-18)8-13(16)19-14(20)4-3-5-22-19/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,23,25)/t13-,16-/m1/s1.
What are the key properties of 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine?
5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine has a molecular weight of 434.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3S,4R)-4-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 90406046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).