(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C28H26FN5O5S — CID 167601293

IUPAC(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1-c1nncs1
InChIInChI=1S/C28H26FN5O5S/c1-27(26(30)36)13-39-23-19(27)11-21(33-22(23)15-4-7-17(29)8-5-15)28(2,37)12-31-24(35)16-6-9-18(20(10-16)38-3)25-34-32-14-40-25/h4-11,14,37H,12-13H2,1-3H3,(H2,30,36)(H,31,35)/t27-,28-/m0/s1
InChIKeyJTTXIUNEFILPNQ-NSOVKSMOSA-N
MW563.61 g/mol
LogP3.19
Rot. Bonds8

About (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167601293) has the molecular formula C28H26FN5O5S and a molecular weight of 563.61 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID167601293
Molecular FormulaC28H26FN5O5S
Molecular Weight563.61 g/mol
Exact Mass563.16
IUPAC Name(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1-c1nncs1
InChIInChI=1S/C28H26FN5O5S/c1-27(26(30)36)13-39-23-19(27)11-21(33-22(23)15-4-7-17(29)8-5-15)28(2,37)12-31-24(35)16-6-9-18(20(10-16)38-3)25-34-32-14-40-25/h4-11,14,37H,12-13H2,1-3H3,(H2,30,36)(H,31,35)/t27-,28-/m0/s1
InChIKeyJTTXIUNEFILPNQ-NSOVKSMOSA-N
XLogP3.19
TPSA149.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.61
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167701916
(3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen
CID 167622221
(3R)-5-[(2S)-1-[(3-cyclopropyloxy-4-pyridin-4-ylbenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167640405
(3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-(1,3-thiazol-5-yl)benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167687356
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-(isoquinoline-7-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167660310
(3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167637507
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[(1-methylindazole-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167665106
(3R)-5-[(2S)-1-[[2-(cyclopropylamino)-1,3-benzothiazole-6-carbonyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167593815
(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
(3R)-5-[(2S)-1-[[4-cyclopropyloxy-3-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167599373
(3R)-5-[(2S)-1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(1-methylcyclobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167665389
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167601293) is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1-c1nncs1.
What is the InChIKey of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is JTTXIUNEFILPNQ-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H26FN5O5S/c1-27(26(30)36)13-39-23-19(27)11-21(33-22(23)15-4-7-17(29)8-5-15)28(2,37)12-31-24(35)16-6-9-18(20(10-16)38-3)25-34-32-14-40-25/h4-11,14,37H,12-13H2,1-3H3,(H2,30,36)(H,31,35)/t27-,28-/m0/s1.
What are the key properties of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 563.61 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(1,3,4-thiadiazol-2-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167601293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).