N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate

C120H145BCl2F11IN8O24S3 — CID 157106454

About N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate

N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate (PubChem CID 157106454) has the molecular formula C120H145BCl2F11IN8O24S3 and a molecular weight of 2597.31 g/mol. Its IUPAC name is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate.

Molecular Properties

• Compound Name: N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate
• PubChem CID: 157106454
• Molecular Formula: C120H145BCl2F11IN8O24S3
• Molecular Weight: 2597.31 g/mol
• Exact Mass: 2594.79
• IUPAC Name: N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate
• SMILES: CC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.COC(=O)c1ccc(CC2CC2)c(OC)c1.COC(=O)c1ccc(I)c(OC)c1.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1CC1CC1.COc1cc(C(=O)CCC(O)(c2cc3c(c(Cl)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1CC1CC1.COc1cc(C(=O)O)ccc1CC1CC1.NC1CC1.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C34H38F4N2O5S.C28H34ClF3N2O5S.C15H21ClF3N3O3S.C13H16O3.C12H14O3.C9H9IO3.C6H6BFO2.C3H7N/c1-31(2,3)46(43)40-32(4)19-45-30-25(32)18-28(39-29(30)21-10-12-24(35)13-11-21)33(42,34(36,37)38)15-14-26(41)22-8-9-23(16-20-6-7-20)27(17-22)44-5;1-25(2,3)40(37)34-26(4)15-39-23-19(26)14-22(33-24(23)29)27(36,28(30,31)32)11-10-20(35)17-8-9-18(12-16-6-7-16)21(13-17)38-5;1-12(2,3)26(24)22-13(4)7-25-10-8(13)5-9(21-11(10)16)14(23,6-20)15(17,18)19;1-15-12-8-11(13(14)16-2)6-5-10(12)7-9-3-4-9;1-15-11-7-10(12(13)14)5-4-9(11)6-8-2-3-8;1-12-8-5-6(9(11)13-2)3-4-7(8)10;8-6-3-1-5(2-4-6)7(9)10;4-3-1-2-3/h8-13,17-18,20,40,42H,6-7,14-16,19H2,1-5H3;8-9,13-14,16,34,36H,6-7,10-12,15H2,1-5H3;5,22-23H,6-7,20H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;4-5,7-8H,2-3,6H2,1H3,(H,13,14);3-5H,1-2H3;1-4,9-10H;3H,1-2,4H2
• InChIKey: AGIXLZARBWODDZ-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 477.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.31
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate?

The IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate (CID 157106454) is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate.

What is the SMILES notation for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate?

The canonical SMILES for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate is CC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.COC(=O)c1ccc(CC2CC2)c(OC)c1.COC(=O)c1ccc(I)c(OC)c1.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1CC1CC1.COc1cc(C(=O)CCC(O)(c2cc3c(c(Cl)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)ccc1CC1CC1.COc1cc(C(=O)O)ccc1CC1CC1.NC1CC1.OB(O)c1ccc(F)cc1.

What is the InChIKey of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate?

The InChIKey is AGIXLZARBWODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F4N2O5S.C28H34ClF3N2O5S.C15H21ClF3N3O3S.C13H16O3.C12H14O3.C9H9IO3.C6H6BFO2.C3H7N/c1-31(2,3)46(43)40-32(4)19-45-30-25(32)18-28(39-29(30)21-10-12-24(35)13-11-21)33(42,34(36,37)38)15-14-26(41)22-8-9-23(16-20-6-7-20)27(17-22)44-5;1-25(2,3)40(37)34-26(4)15-39-23-19(26)14-22(33-24(23)29)27(36,28(30,31)32)11-10-20(35)17-8-9-18(12-16-6-7-16)21(13-17)38-5;1-12(2,3)26(24)22-13(4)7-25-10-8(13)5-9(21-11(10)16)14(23,6-20)15(17,18)19;1-15-12-8-11(13(14)16-2)6-5-10(12)7-9-3-4-9;1-15-11-7-10(12(13)14)5-4-9(11)6-8-2-3-8;1-12-8-5-6(9(11)13-2)3-4-7(8)10;8-6-3-1-5(2-4-6)7(9)10;4-3-1-2-3/h8-13,17-18,20,40,42H,6-7,14-16,19H2,1-5H3;8-9,13-14,16,34,36H,6-7,10-12,15H2,1-5H3;5,22-23H,6-7,20H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;4-5,7-8H,2-3,6H2,1H3,(H,13,14);3-5H,1-2H3;1-4,9-10H;3H,1-2,4H2.

What are the key properties of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate?

N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate has a molecular weight of 2597.31 g/mol, XLogP of 21.27, 36 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;cyclopropanamine;4-(cyclopropylmethyl)-3-methoxybenzoic acid;N-[5-[5-[4-(cyclopropylmethyl)-3-methoxyphenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(4-fluorophenyl)boronic acid;methyl 4-(cyclopropylmethyl)-3-methoxybenzoate;methyl 4-iodo-3-methoxybenzoate is sourced from PubChem (CID 157106454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).