(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

C23H20F4N4O5 — CID 164910594

IUPAC(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
SMILESCc1oncc1C(=O)NC[C@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O)C(F)(F)F
InChIInChI=1S/C23H20F4N4O5/c1-11-14(8-30-36-11)19(32)29-9-22(34,23(25,26)27)16-7-15-18(35-10-21(15,2)20(28)33)17(31-16)12-3-5-13(24)6-4-12/h3-8,34H,9-10H2,1-2H3,(H2,28,33)(H,29,32)/t21-,22-/m0/s1
InChIKeyBMTPUIRBFHPRCW-VXKWHMMOSA-N
MW508.43 g/mol
LogP2.50
Rot. Bonds6

About (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

(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 (PubChem CID 164910594) has the molecular formula C23H20F4N4O5 and a molecular weight of 508.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164910594
Molecular FormulaC23H20F4N4O5
Molecular Weight508.43 g/mol
Exact Mass508.14
IUPAC Name(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
SMILESCc1oncc1C(=O)NC[C@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O)C(F)(F)F
InChIInChI=1S/C23H20F4N4O5/c1-11-14(8-30-36-11)19(32)29-9-22(34,23(25,26)27)16-7-15-18(35-10-21(15,2)20(28)33)17(31-16)12-3-5-13(24)6-4-12/h3-8,34H,9-10H2,1-2H3,(H2,28,33)(H,29,32)/t21-,22-/m0/s1
InChIKeyBMTPUIRBFHPRCW-VXKWHMMOSA-N
XLogP2.50
TPSA140.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
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
(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)-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)-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
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
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)-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
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 122503109
(3R)-N-(2,2-difluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-(fluoroamino)-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156872805
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1oncc1C(=O)NC[C@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O)C(F)(F)F.
What is the InChIKey of (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?
The InChIKey is BMTPUIRBFHPRCW-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H20F4N4O5/c1-11-14(8-30-36-11)19(32)29-9-22(34,23(25,26)27)16-7-15-18(35-10-21(15,2)20(28)33)17(31-16)12-3-5-13(24)6-4-12/h3-8,34H,9-10H2,1-2H3,(H2,28,33)(H,29,32)/t21-,22-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 508.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164910594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).