disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide

C134H117N7Na2O22 — CID 158666651

About disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide

disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide (PubChem CID 158666651) has the molecular formula C134H117N7Na2O22 and a molecular weight of 2223.42 g/mol. Its IUPAC name is disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide.

Molecular Properties

• Compound Name: disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide
• PubChem CID: 158666651
• Molecular Formula: C134H117N7Na2O22
• Molecular Weight: 2223.42 g/mol
• Exact Mass: 2221.80
• IUPAC Name: disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide
• SMILES: COC(=O)C1(c2ccc(-c3ccc(-c4oc5nc(C)ccc5c4C(=O)O)cc3)cc2)CC1.COC(=O)C1(c2ccc(-c3ccc(-c4oc5nc(C)ccc5c4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CC1.C[C@H](O)c1ccccc1.Cc1ccc2c(NC(=O)O[C@H](C)c3ccccc3)c(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cc3)oc2n1.Cc1ccc2c(NC(=O)O[C@H](C)c3ccccc3)c(-c3ccc(-c4ccc(C5(C(=O)[O-])CC5)cc4)cc3)oc2n1.[Na+].[Na+].[OH-]
• InChI: InChI=1S/C34H30N2O5.2C33H28N2O5.C26H21NO5.C8H10O.2Na.H2O/c1-21-9-18-28-29(36-33(38)40-22(2)23-7-5-4-6-8-23)30(41-31(28)35-21)26-12-10-24(11-13-26)25-14-16-27(17-15-25)34(19-20-34)32(37)39-3;2*1-20-8-17-27-28(35-32(38)39-21(2)22-6-4-3-5-7-22)29(40-30(27)34-20)25-11-9-23(10-12-25)24-13-15-26(16-14-24)33(18-19-33)31(36)37;1-15-3-12-20-21(24(28)29)22(32-23(20)27-15)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(13-14-26)25(30)31-2;1-7(9)8-5-3-2-4-6-8;;;/h4-18,22H,19-20H2,1-3H3,(H,36,38);2*3-17,21H,18-19H2,1-2H3,(H,35,38)(H,36,37);3-12H,13-14H2,1-2H3,(H,28,29);2-7,9H,1H3;;;1H2/q;;;;;2*+1;/p-2/t22-;2*21-;;7-;;;/m111.0.../s1
• InChIKey: IDLCGQTVXSVYRC-BXEBZBFWSA-L
• XLogP: 23.39
• TPSA: 436.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2223.42
LogP ≤ 5	23.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide?

The IUPAC name of disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide (CID 158666651) is disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide.

What is the SMILES notation for disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide?

The canonical SMILES for disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide is COC(=O)C1(c2ccc(-c3ccc(-c4oc5nc(C)ccc5c4C(=O)O)cc3)cc2)CC1.COC(=O)C1(c2ccc(-c3ccc(-c4oc5nc(C)ccc5c4NC(=O)O[C@H](C)c4ccccc4)cc3)cc2)CC1.C[C@H](O)c1ccccc1.Cc1ccc2c(NC(=O)O[C@H](C)c3ccccc3)c(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cc3)oc2n1.Cc1ccc2c(NC(=O)O[C@H](C)c3ccccc3)c(-c3ccc(-c4ccc(C5(C(=O)[O-])CC5)cc4)cc3)oc2n1.[Na+].[Na+].[OH-].

What is the InChIKey of disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide?

The InChIKey is IDLCGQTVXSVYRC-BXEBZBFWSA-L. The full InChI is InChI=1S/C34H30N2O5.2C33H28N2O5.C26H21NO5.C8H10O.2Na.H2O/c1-21-9-18-28-29(36-33(38)40-22(2)23-7-5-4-6-8-23)30(41-31(28)35-21)26-12-10-24(11-13-26)25-14-16-27(17-15-25)34(19-20-34)32(37)39-3;2*1-20-8-17-27-28(35-32(38)39-21(2)22-6-4-3-5-7-22)29(40-30(27)34-20)25-11-9-23(10-12-25)24-13-15-26(16-14-24)33(18-19-33)31(36)37;1-15-3-12-20-21(24(28)29)22(32-23(20)27-15)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(13-14-26)25(30)31-2;1-7(9)8-5-3-2-4-6-8;;;/h4-18,22H,19-20H2,1-3H3,(H,36,38);2*3-17,21H,18-19H2,1-2H3,(H,35,38)(H,36,37);3-12H,13-14H2,1-2H3,(H,28,29);2-7,9H,1H3;;;1H2/q;;;;;2*+1;/p-2/t22-;2*21-;;7-;;;/m111.0.../s1.

What are the key properties of disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide?

disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide has a molecular weight of 2223.42 g/mol, XLogP of 23.39, 27 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide is sourced from PubChem (CID 158666651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).