3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine

C105H110Cl3F14N17O22 — CID 159624429

About 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine

3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine (PubChem CID 159624429) has the molecular formula C105H110Cl3F14N17O22 and a molecular weight of 2334.46 g/mol. Its IUPAC name is 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine
• PubChem CID: 159624429
• Molecular Formula: C105H110Cl3F14N17O22
• Molecular Weight: 2334.46 g/mol
• Exact Mass: 2331.69
• IUPAC Name: 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine
• SMILES: CC1(CN=[N+]=[N-])COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.CC1(CN=[N+]=[N-])COc2c1cc(C1(C)CO1)nc2Cl.COc1cc(C(=O)CCC(O)(c2cc3c(c(Cl)n2)OCC3(C)CN=[N+]=[N-])C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)CN)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)CN)C(F)(F)F)ccc1OCCO
• InChI: InChI=1S/2C29H30F4N2O6.C23H24ClF3N4O6.C12H13ClF3N5O2.C12H13ClN4O2/c2*1-27(15-34)16-41-26-20(27)14-24(35-25(26)17-3-6-19(30)7-4-17)28(38,29(31,32)33)10-9-21(37)18-5-8-22(40-12-11-36)23(13-18)39-2;1-21(11-29-31-28)12-37-19-14(21)10-18(30-20(19)24)22(34,23(25,26)27)6-5-15(33)13-3-4-16(36-8-7-32)17(9-13)35-2;1-10(4-19-21-18)5-23-8-6(10)2-7(20-9(8)13)11(22,3-17)12(14,15)16;1-11(4-15-17-14)5-18-9-7(11)3-8(16-10(9)13)12(2)6-19-12/h2*3-8,13-14,36,38H,9-12,15-16,34H2,1-2H3;3-4,9-10,32,34H,5-8,11-12H2,1-2H3;2,22H,3-5,17H2,1H3;3H,4-6H2,1-2H3/t2*27?,28-;;;/m10.../s1
• InChIKey: MOHPAZSKXGSZRK-RRAGSKEASA-N
• XLogP: 18.41
• TPSA: 595.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2334.46
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine?

The IUPAC name of 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine (CID 159624429) is 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine.

What is the SMILES notation for 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine?

The canonical SMILES for 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine is CC1(CN=[N+]=[N-])COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.CC1(CN=[N+]=[N-])COc2c1cc(C1(C)CO1)nc2Cl.COc1cc(C(=O)CCC(O)(c2cc3c(c(Cl)n2)OCC3(C)CN=[N+]=[N-])C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)CN)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)CN)C(F)(F)F)ccc1OCCO.

What is the InChIKey of 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine?

The InChIKey is MOHPAZSKXGSZRK-RRAGSKEASA-N. The full InChI is InChI=1S/2C29H30F4N2O6.C23H24ClF3N4O6.C12H13ClF3N5O2.C12H13ClN4O2/c2*1-27(15-34)16-41-26-20(27)14-24(35-25(26)17-3-6-19(30)7-4-17)28(38,29(31,32)33)10-9-21(37)18-5-8-22(40-12-11-36)23(13-18)39-2;1-21(11-29-31-28)12-37-19-14(21)10-18(30-20(19)24)22(34,23(25,26)27)6-5-15(33)13-3-4-16(36-8-7-32)17(9-13)35-2;1-10(4-19-21-18)5-23-8-6(10)2-7(20-9(8)13)11(22,3-17)12(14,15)16;1-11(4-15-17-14)5-18-9-7(11)3-8(16-10(9)13)12(2)6-19-12/h2*3-8,13-14,36,38H,9-12,15-16,34H2,1-2H3;3-4,9-10,32,34H,5-8,11-12H2,1-2H3;2,22H,3-5,17H2,1H3;3H,4-6H2,1-2H3/t2*27?,28-;;;/m10.../s1.

What are the key properties of 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine?

3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine has a molecular weight of 2334.46 g/mol, XLogP of 18.41, 40 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;(4S)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(4R)-4-[3-(aminomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-(azidomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;3-(azidomethyl)-7-chloro-3-methyl-5-(2-methyloxiran-2-yl)-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 159624429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).