(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane

C59H58F9N9O12S — CID 165050336

IUPAC(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane
SMILESC.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N=[N+]=[N-])C(F)(F)F)ccc1OC1CC1.[N-]=[N+]=NS(=O)(=O)F
InChIInChI=1S/C29H26F4N4O5.C29H28F4N2O5.CH4.FN3O2S/c1-27(36-37-34)15-41-26-20(27)14-24(35-25(26)16-3-6-18(30)7-4-16)28(39,29(31,32)33)12-11-21(38)17-5-10-22(23(13-17)40-2)42-19-8-9-19;1-27(34)15-39-26-20(27)14-24(35-25(26)16-3-6-18(30)7-4-16)28(37,29(31,32)33)12-11-21(36)17-5-10-22(23(13-17)38-2)40-19-8-9-19;;1-7(5,6)4-3-2/h3-7,10,13-14,19,39H,8-9,11-12,15H2,1-2H3;3-7,10,13-14,19,37H,8-9,11-12,15,34H2,1-2H3;1H4;/t2*27-,28-;;/m00../s1
InChIKeyPOGSXGGUNMFVGC-IDOCFCDFSA-N
MW1288.21 g/mol
LogP13.33
Rot. Bonds20

About (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane

(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane (PubChem CID 165050336) has the molecular formula C59H58F9N9O12S and a molecular weight of 1288.21 g/mol. Its IUPAC name is (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane.

Molecular Properties

Compound Name(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane
PubChem CID165050336
Molecular FormulaC59H58F9N9O12S
Molecular Weight1288.21 g/mol
Exact Mass1287.38
IUPAC Name(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane
SMILESC.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N=[N+]=[N-])C(F)(F)F)ccc1OC1CC1.[N-]=[N+]=NS(=O)(=O)F
InChIInChI=1S/C29H26F4N4O5.C29H28F4N2O5.CH4.FN3O2S/c1-27(36-37-34)15-41-26-20(27)14-24(35-25(26)16-3-6-18(30)7-4-16)28(39,29(31,32)33)12-11-21(38)17-5-10-22(23(13-17)40-2)42-19-8-9-19;1-27(34)15-39-26-20(27)14-24(35-25(26)16-3-6-18(30)7-4-16)28(37,29(31,32)33)12-11-21(36)17-5-10-22(23(13-17)38-2)40-19-8-9-19;;1-7(5,6)4-3-2/h3-7,10,13-14,19,39H,8-9,11-12,15H2,1-2H3;3-7,10,13-14,19,37H,8-9,11-12,15,34H2,1-2H3;1H4;/t2*27-,28-;;/m00../s1
InChIKeyPOGSXGGUNMFVGC-IDOCFCDFSA-N
XLogP13.33
TPSA313.44 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.21
LogP ≤ 513.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11420976, Example 3
CID 156809883
US11420976, Example 27
CID 156809893
US11420976, Example 1
CID 156809900
US11420976, Example 9
CID 158470136
US11420976, Example 7
CID 165436682
US11420976, Example 8
CID 165436683
US11420976, Example 19
CID 165436687
US11420976, Example 20
CID 165436688
US11420976, Example 22
CID 165436689
US11420976, Example 23
CID 165436690
US11420976, Example 26
CID 165436692
US11420976, Example 4
CID 156809853

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane?
The IUPAC name of (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane (CID 165050336) is (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane.
What is the SMILES notation for (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane?
The canonical SMILES for (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane is C.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N=[N+]=[N-])C(F)(F)F)ccc1OC1CC1.[N-]=[N+]=NS(=O)(=O)F.
What is the InChIKey of (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane?
The InChIKey is POGSXGGUNMFVGC-IDOCFCDFSA-N. The full InChI is InChI=1S/C29H26F4N4O5.C29H28F4N2O5.CH4.FN3O2S/c1-27(36-37-34)15-41-26-20(27)14-24(35-25(26)16-3-6-18(30)7-4-16)28(39,29(31,32)33)12-11-21(38)17-5-10-22(23(13-17)40-2)42-19-8-9-19;1-27(34)15-39-26-20(27)14-24(35-25(26)16-3-6-18(30)7-4-16)28(37,29(31,32)33)12-11-21(36)17-5-10-22(23(13-17)38-2)40-19-8-9-19;;1-7(5,6)4-3-2/h3-7,10,13-14,19,39H,8-9,11-12,15H2,1-2H3;3-7,10,13-14,19,37H,8-9,11-12,15,34H2,1-2H3;1H4;/t2*27-,28-;;/m00../s1.
What are the key properties of (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane?
(4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane has a molecular weight of 1288.21 g/mol, XLogP of 13.33, 20 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;N-diazosulfamoyl fluoride;methane is sourced from PubChem (CID 165050336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).