(2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

C25H20F6N6O4S — CID 134257473

IUPAC(2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@H]1CC[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C25H20F6N6O4S/c1-13-2-3-19(37(13)42(39,40)21-7-15-8-32-5-4-20(15)41-21)22(38)34-9-14-6-18(33-12-17(14)24(26,27)28)16-10-35-23(36-11-16)25(29,30)31/h4-8,10-13,19H,2-3,9H2,1H3,(H,34,38)/t13-,19-/m0/s1
InChIKeyWKIJSGDIVWZFHV-DJJJIMSYSA-N
MW614.53 g/mol
LogP4.58
Rot. Bonds6

About (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 134257473) has the molecular formula C25H20F6N6O4S and a molecular weight of 614.53 g/mol. Its IUPAC name is (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID134257473
Molecular FormulaC25H20F6N6O4S
Molecular Weight614.53 g/mol
Exact Mass614.12
IUPAC Name(2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@H]1CC[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C25H20F6N6O4S/c1-13-2-3-19(37(13)42(39,40)21-7-15-8-32-5-4-20(15)41-21)22(38)34-9-14-6-18(33-12-17(14)24(26,27)28)16-10-35-23(36-11-16)25(29,30)31/h4-8,10-13,19H,2-3,9H2,1H3,(H,34,38)/t13-,19-/m0/s1
InChIKeyWKIJSGDIVWZFHV-DJJJIMSYSA-N
XLogP4.58
TPSA131.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 134257473) is (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is C[C@H]1CC[C@@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2C(F)(F)F)N1S(=O)(=O)c1cc2cnccc2o1.
What is the InChIKey of (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WKIJSGDIVWZFHV-DJJJIMSYSA-N. The full InChI is InChI=1S/C25H20F6N6O4S/c1-13-2-3-19(37(13)42(39,40)21-7-15-8-32-5-4-20(15)41-21)22(38)34-9-14-6-18(33-12-17(14)24(26,27)28)16-10-35-23(36-11-16)25(29,30)31/h4-8,10-13,19H,2-3,9H2,1H3,(H,34,38)/t13-,19-/m0/s1.
What are the key properties of (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 614.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134257473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).