(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

C26H23F3N4O5S — CID 122685823

IUPAC(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccnc(C(F)(F)F)c2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C26H23F3N4O5S/c27-26(28,29)23-12-18(6-9-31-23)16-37-20-4-1-3-17(11-20)14-32-25(34)21-5-2-10-33(21)39(35,36)24-13-19-15-30-8-7-22(19)38-24/h1,3-4,6-9,11-13,15,21H,2,5,10,14,16H2,(H,32,34)/t21-/m0/s1
InChIKeyMMPIHGKPIJCXGQ-NRFANRHFSA-N
MW560.55 g/mol
LogP4.29
Rot. Bonds8

About (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 122685823) has the molecular formula C26H23F3N4O5S and a molecular weight of 560.55 g/mol. Its IUPAC name is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID122685823
Molecular FormulaC26H23F3N4O5S
Molecular Weight560.55 g/mol
Exact Mass560.13
IUPAC Name(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccnc(C(F)(F)F)c2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C26H23F3N4O5S/c27-26(28,29)23-12-18(6-9-31-23)16-37-20-4-1-3-17(11-20)14-32-25(34)21-5-2-10-33(21)39(35,36)24-13-19-15-30-8-7-22(19)38-24/h1,3-4,6-9,11-13,15,21H,2,5,10,14,16H2,(H,32,34)/t21-/m0/s1
InChIKeyMMPIHGKPIJCXGQ-NRFANRHFSA-N
XLogP4.29
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

US10626112, Example 224
CID 122685628
US10626112, Example 223
CID 122685825
US10626112, Example 89
CID 122696009
US10626112, Example 128
CID 122696014
US10626112, Example 129
CID 122696016
US10626112, Example 88
CID 122696038
US10626112, Example 133
CID 122696045
US10626112, Example 98
CID 122696046
US10626112, Example 138
CID 137146045
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-[(furan-2-yl)methyl]benzene-1-sulfonamide
CID 20917809
2-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)-5-fluoro-N-[(5-methylfuran-2-YL)methyl]benzene-1-sulfonamide
CID 20917857
US10626112, Example 331
CID 122685613

Frequently Asked Questions

What is the IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 122685823) is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(OCc2ccnc(C(F)(F)F)c2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1.
What is the InChIKey of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is MMPIHGKPIJCXGQ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H23F3N4O5S/c27-26(28,29)23-12-18(6-9-31-23)16-37-20-4-1-3-17(11-20)14-32-25(34)21-5-2-10-33(21)39(35,36)24-13-19-15-30-8-7-22(19)38-24/h1,3-4,6-9,11-13,15,21H,2,5,10,14,16H2,(H,32,34)/t21-/m0/s1.
What are the key properties of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 560.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[[3-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122685823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).