(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

C25H19F4N5O4S — CID 164910435

IUPAC(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESC[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1nc3cccnc3s1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C25H19F4N5O4S/c1-23(22(30)36)11-38-18-14(23)9-16(34-17(18)12-4-6-13(26)7-5-12)24(37,25(27,28)29)10-32-19(35)21-33-15-3-2-8-31-20(15)39-21/h2-9,37H,10-11H2,1H3,(H2,30,36)(H,32,35)/t23-,24-/m0/s1
InChIKeyOXCOPPYCQJCPMT-ZEQRLZLVSA-N
MW561.52 g/mol
LogP3.21
Rot. Bonds6

About (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164910435) has the molecular formula C25H19F4N5O4S and a molecular weight of 561.52 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID164910435
Molecular FormulaC25H19F4N5O4S
Molecular Weight561.52 g/mol
Exact Mass561.11
IUPAC Name(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESC[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1nc3cccnc3s1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C25H19F4N5O4S/c1-23(22(30)36)11-38-18-14(23)9-16(34-17(18)12-4-6-13(26)7-5-12)24(37,25(27,28)29)10-32-19(35)21-33-15-3-2-8-31-20(15)39-21/h2-9,37H,10-11H2,1H3,(H2,30,36)(H,32,35)/t23-,24-/m0/s1
InChIKeyOXCOPPYCQJCPMT-ZEQRLZLVSA-N
XLogP3.21
TPSA140.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.52
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910594
5-[3-[(3-chloro-8-fluoroquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156872542
5-[3-[[3-(difluoromethyl)-8-methoxyquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156873001
7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-2-hydroxy-3-[[2-(hydroxymethyl)-4-methoxy-1,3-benzothiazole-6-carbonyl]amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156872757
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166783333
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167557284
(3R)-5-[3-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910515
(3R)-5-[(2S)-3-[[3-chloro-8-(cyclopropylcarbamoylamino)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169240946
5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166783040
(3R)-5-[(2S)-3-[(2-amino-4-methoxy-1,3-benzothiazole-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170287454
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxylic acid
CID 156872655
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(3-methyl-8-pyrimidin-2-yloxyquinoline-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167576788

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164910435) is (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1nc3cccnc3s1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is OXCOPPYCQJCPMT-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H19F4N5O4S/c1-23(22(30)36)11-38-18-14(23)9-16(34-17(18)12-4-6-13(26)7-5-12)24(37,25(27,28)29)10-32-19(35)21-33-15-3-2-8-31-20(15)39-21/h2-9,37H,10-11H2,1H3,(H2,30,36)(H,32,35)/t23-,24-/m0/s1.
What are the key properties of (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 561.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164910435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).