(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

C31H29FN4O5S — CID 167687356

IUPAC(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
SMILESC[C@](O)(CNC(=O)c1ccc(OC2CC2)c(-c2cncs2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C31H29FN4O5S/c1-30(29(33)38)15-40-27-22(30)12-25(36-26(27)17-3-6-19(32)7-4-17)31(2,39)14-35-28(37)18-5-10-23(41-20-8-9-20)21(11-18)24-13-34-16-42-24/h3-7,10-13,16,20,39H,8-9,14-15H2,1-2H3,(H2,33,38)(H,35,37)/t30-,31-/m0/s1
InChIKeyWKFQPZWXFUCCCB-CONSDPRKSA-N
MW588.66 g/mol
LogP4.33
Rot. Bonds9

About (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

(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 (PubChem CID 167687356) has the molecular formula C31H29FN4O5S and a molecular weight of 588.66 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167687356
Molecular FormulaC31H29FN4O5S
Molecular Weight588.66 g/mol
Exact Mass588.18
IUPAC Name(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
SMILESC[C@](O)(CNC(=O)c1ccc(OC2CC2)c(-c2cncs2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C31H29FN4O5S/c1-30(29(33)38)15-40-27-22(30)12-25(36-26(27)17-3-6-19(32)7-4-17)31(2,39)14-35-28(37)18-5-10-23(41-20-8-9-20)21(11-18)24-13-34-16-42-24/h3-7,10-13,16,20,39H,8-9,14-15H2,1-2H3,(H2,33,38)(H,35,37)/t30-,31-/m0/s1
InChIKeyWKFQPZWXFUCCCB-CONSDPRKSA-N
XLogP4.33
TPSA136.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.66
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-5-[(2S)-5-[4-cyclopropyloxy-3-(1,3-thiazol-5-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167629021
(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-[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-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-(isoquinoline-7-carbonylamino)propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167660310
(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
N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
CID 166680777
(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-[(1-methylindazole-6-carbonyl)amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167665106
(3R)-5-[(2S)-5-[4-cyclopropyloxy-3-(1,3-thiazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167698559
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@](O)(CNC(=O)c1ccc(OC2CC2)c(-c2cncs2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.
What is the InChIKey of (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?
The InChIKey is WKFQPZWXFUCCCB-CONSDPRKSA-N. The full InChI is InChI=1S/C31H29FN4O5S/c1-30(29(33)38)15-40-27-22(30)12-25(36-26(27)17-3-6-19(32)7-4-17)31(2,39)14-35-28(37)18-5-10-23(41-20-8-9-20)21(11-18)24-13-34-16-42-24/h3-7,10-13,16,20,39H,8-9,14-15H2,1-2H3,(H2,33,38)(H,35,37)/t30-,31-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 588.66 g/mol, XLogP of 4.33, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167687356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).