(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

C33H31FN4O5 — CID 167640405

IUPAC(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
SMILESC[C@](O)(CNC(=O)c1ccc(-c2ccncc2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C33H31FN4O5/c1-32(31(35)40)18-42-29-25(32)16-27(38-28(29)20-3-6-22(34)7-4-20)33(2,41)17-37-30(39)21-5-10-24(19-11-13-36-14-12-19)26(15-21)43-23-8-9-23/h3-7,10-16,23,41H,8-9,17-18H2,1-2H3,(H2,35,40)(H,37,39)/t32-,33-/m0/s1
InChIKeyPBXWECUIMXTPHF-LQJZCPKCSA-N
MW582.63 g/mol
LogP4.26
Rot. Bonds9

About (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

(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 (PubChem CID 167640405) has the molecular formula C33H31FN4O5 and a molecular weight of 582.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167640405
Molecular FormulaC33H31FN4O5
Molecular Weight582.63 g/mol
Exact Mass582.23
IUPAC Name(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
SMILESC[C@](O)(CNC(=O)c1ccc(-c2ccncc2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C33H31FN4O5/c1-32(31(35)40)18-42-29-25(32)16-27(38-28(29)20-3-6-22(34)7-4-20)33(2,41)17-37-30(39)21-5-10-24(19-11-13-36-14-12-19)26(15-21)43-23-8-9-23/h3-7,10-16,23,41H,8-9,17-18H2,1-2H3,(H2,35,40)(H,37,39)/t32-,33-/m0/s1
InChIKeyPBXWECUIMXTPHF-LQJZCPKCSA-N
XLogP4.26
TPSA136.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.63
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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)-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)-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)-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)-5-(3-cyclopropyloxy-4-pyridazin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167646813
(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
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-[[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
(3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(2-methylpyrimidin-5-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167673726
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@](O)(CNC(=O)c1ccc(-c2ccncc2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.
What is the InChIKey of (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?
The InChIKey is PBXWECUIMXTPHF-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H31FN4O5/c1-32(31(35)40)18-42-29-25(32)16-27(38-28(29)20-3-6-22(34)7-4-20)33(2,41)17-37-30(39)21-5-10-24(19-11-13-36-14-12-19)26(15-21)43-23-8-9-23/h3-7,10-16,23,41H,8-9,17-18H2,1-2H3,(H2,35,40)(H,37,39)/t32-,33-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 582.63 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167640405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).