1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one

C26H20F7N5O4S — CID 147441921

IUPAC1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
SMILESC[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C26H20F7N5O4S/c1-13-18(27)8-20(38(13)43(40,41)23-7-15-9-34-5-4-22(15)42-23)21(39)3-2-14-6-19(35-12-17(14)25(28,29)30)16-10-36-24(37-11-16)26(31,32)33/h4-7,9-13,18,20H,2-3,8H2,1H3/t13-,18+,20-/m0/s1
InChIKeyDWJVWTKKSGIESC-VIZZQPHQSA-N
MW631.53 g/mol
LogP5.41
Rot. Bonds7

About 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one

1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one (PubChem CID 147441921) has the molecular formula C26H20F7N5O4S and a molecular weight of 631.53 g/mol. Its IUPAC name is 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
PubChem CID147441921
Molecular FormulaC26H20F7N5O4S
Molecular Weight631.53 g/mol
Exact Mass631.11
IUPAC Name1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
SMILESC[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C26H20F7N5O4S/c1-13-18(27)8-20(38(13)43(40,41)23-7-15-9-34-5-4-22(15)42-23)21(39)3-2-14-6-19(35-12-17(14)25(28,29)30)16-10-36-24(37-11-16)26(31,32)33/h4-7,9-13,18,20H,2-3,8H2,1H3/t13-,18+,20-/m0/s1
InChIKeyDWJVWTKKSGIESC-VIZZQPHQSA-N
XLogP5.41
TPSA119.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.53
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

US10626112, Example 224
CID 122685628
US10626112, Example 407
CID 122685615
US10626112, Example 389
CID 122685631
US10626112, Example 199
CID 122685633
US10626112, Example 270
CID 122685667
US10626112, Example 301
CID 122685702
US10626112, Example 387
CID 122685735
US10626112, Example 247
CID 122685753
US10626112, Example 403
CID 122685766
US10626112, Example 372
CID 122685780
US10626112, Example 402
CID 122685789
US10626112, Example 401
CID 122685813

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one?
The IUPAC name of 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one (CID 147441921) is 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one?
The canonical SMILES for 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one is C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1cc2cnccc2o1.
What is the InChIKey of 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one?
The InChIKey is DWJVWTKKSGIESC-VIZZQPHQSA-N. The full InChI is InChI=1S/C26H20F7N5O4S/c1-13-18(27)8-20(38(13)43(40,41)23-7-15-9-34-5-4-22(15)42-23)21(39)3-2-14-6-19(35-12-17(14)25(28,29)30)16-10-36-24(37-11-16)26(31,32)33/h4-7,9-13,18,20H,2-3,8H2,1H3/t13-,18+,20-/m0/s1.
What are the key properties of 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one?
1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one has a molecular weight of 631.53 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R,5S)-4-fluoro-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one is sourced from PubChem (CID 147441921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).