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

C20H21F2N5O2S — CID 90406299

IUPAC5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-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]2c2ccc(F)cc2)ncc1F
InChIInChI=1S/C20H21F2N5O2S/c1-13-7-19(23-8-17(13)22)25-18-10-27(30(28,29)20-11-26(2)12-24-20)9-16(18)14-3-5-15(21)6-4-14/h3-8,11-12,16,18H,9-10H2,1-2H3,(H,23,25)/t16-,18+/m1/s1
InChIKeyVIAZLBSMDWUJMQ-AEFFLSMTSA-N
MW433.48 g/mol
LogP2.67
Rot. Bonds5

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

5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine (PubChem CID 90406299) has the molecular formula C20H21F2N5O2S and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine
PubChem CID90406299
Molecular FormulaC20H21F2N5O2S
Molecular Weight433.48 g/mol
Exact Mass433.14
IUPAC Name5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-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]2c2ccc(F)cc2)ncc1F
InChIInChI=1S/C20H21F2N5O2S/c1-13-7-19(23-8-17(13)22)25-18-10-27(30(28,29)20-11-26(2)12-24-20)9-16(18)14-3-5-15(21)6-4-14/h3-8,11-12,16,18H,9-10H2,1-2H3,(H,23,25)/t16-,18+/m1/s1
InChIKeyVIAZLBSMDWUJMQ-AEFFLSMTSA-N
XLogP2.67
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine (CID 90406299) is 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-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]2c2ccc(F)cc2)ncc1F.
What is the InChIKey of 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine?
The InChIKey is VIAZLBSMDWUJMQ-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H21F2N5O2S/c1-13-7-19(23-8-17(13)22)25-18-10-27(30(28,29)20-11-26(2)12-24-20)9-16(18)14-3-5-15(21)6-4-14/h3-8,11-12,16,18H,9-10H2,1-2H3,(H,23,25)/t16-,18+/m1/s1.
What are the key properties of 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine?
5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine has a molecular weight of 433.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyridin-2-amine is sourced from PubChem (CID 90406299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).