[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone

C161H145Cl4F2N21O24 — CID 167631086

About [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone

[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 167631086) has the molecular formula C161H145Cl4F2N21O24 and a molecular weight of 2937.86 g/mol. Its IUPAC name is [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

• Compound Name: [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone
• PubChem CID: 167631086
• Molecular Formula: C161H145Cl4F2N21O24
• Molecular Weight: 2937.86 g/mol
• Exact Mass: 2933.95
• IUPAC Name: [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone
• SMILES: Cc1cccc(Oc2ccc(C(=O)c3c[nH]c4nccc(N[C@@H]5CC[C@@H](CO)OC5)c34)c(Cl)c2)c1.O=C(c1ccc(Oc2ccccc2)cc1)c1c[nH]c2nccc(N[C@@H]3CC[C@@H](CO)OC3)c12.O=C(c1ccc(Oc2ccccc2F)cc1Cl)c1c[nH]c2nccc(N[C@@H]3CC[C@@H](CO)OC3)c12.[C-]#[N+]c1cnc2[nH]cc(C(=O)c3ccc(Oc4cccc(C)c4)cc3Cl)c2c1N[C@@H]1CC[C@@H](CO)OC1.[C-]#[N+]c1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1N[C@@H]1CC[C@@H](CO)OC1.[C-]#[N+]c1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3Cl)c2c1N[C@@H]1CC[C@@H](CO)OC1
• InChI: InChI=1S/C28H25ClN4O4.C27H22ClFN4O4.C27H26ClN3O4.C27H24N4O4.C26H23ClFN3O4.C26H25N3O4/c1-16-4-3-5-18(10-16)37-19-8-9-21(23(29)11-19)27(35)22-12-31-28-25(22)26(24(30-2)13-32-28)33-17-6-7-20(14-34)36-15-17;1-30-22-12-32-27-24(25(22)33-15-6-7-17(13-34)36-14-15)19(11-31-27)26(35)18-9-8-16(10-20(18)28)37-23-5-3-2-4-21(23)29;1-16-3-2-4-18(11-16)35-19-7-8-21(23(28)12-19)26(33)22-13-30-27-25(22)24(9-10-29-27)31-17-5-6-20(14-32)34-15-17;1-28-23-14-30-27-24(25(23)31-18-9-12-21(15-32)34-16-18)22(13-29-27)26(33)17-7-10-20(11-8-17)35-19-5-3-2-4-6-19;27-20-11-16(35-23-4-2-1-3-21(23)28)7-8-18(20)25(33)19-12-30-26-24(19)22(9-10-29-26)31-15-5-6-17(13-32)34-14-15;30-15-21-11-8-18(16-32-21)29-23-12-13-27-26-24(23)22(14-28-26)25(31)17-6-9-20(10-7-17)33-19-4-2-1-3-5-19/h3-5,8-13,17,20,34H,6-7,14-15H2,1H3,(H2,31,32,33);2-5,8-12,15,17,34H,6-7,13-14H2,(H2,31,32,33);2-4,7-13,17,20,32H,5-6,14-15H2,1H3,(H2,29,30,31);2-8,10-11,13-14,18,21,32H,9,12,15-16H2,(H2,29,30,31);1-4,7-12,15,17,32H,5-6,13-14H2,(H2,29,30,31);1-7,9-10,12-14,18,21,30H,8,11,15-16H2,(H2,27,28,29)/t17-,20+;15-,17+;17-,20+;18-,21+;15-,17+;18-,21+/m111111/s1
• InChIKey: NUPJNFUYKIRSBW-MQXMJZGYSA-N
• XLogP: 32.39
• TPSA: 591.90 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2937.86
LogP ≤ 5	32.39
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone?

The IUPAC name of [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone (CID 167631086) is [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone.

What is the SMILES notation for [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone?

The canonical SMILES for [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone is Cc1cccc(Oc2ccc(C(=O)c3c[nH]c4nccc(N[C@@H]5CC[C@@H](CO)OC5)c34)c(Cl)c2)c1.O=C(c1ccc(Oc2ccccc2)cc1)c1c[nH]c2nccc(N[C@@H]3CC[C@@H](CO)OC3)c12.O=C(c1ccc(Oc2ccccc2F)cc1Cl)c1c[nH]c2nccc(N[C@@H]3CC[C@@H](CO)OC3)c12.[C-]#[N+]c1cnc2[nH]cc(C(=O)c3ccc(Oc4cccc(C)c4)cc3Cl)c2c1N[C@@H]1CC[C@@H](CO)OC1.[C-]#[N+]c1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1N[C@@H]1CC[C@@H](CO)OC1.[C-]#[N+]c1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4F)cc3Cl)c2c1N[C@@H]1CC[C@@H](CO)OC1.

What is the InChIKey of [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone?

The InChIKey is NUPJNFUYKIRSBW-MQXMJZGYSA-N. The full InChI is InChI=1S/C28H25ClN4O4.C27H22ClFN4O4.C27H26ClN3O4.C27H24N4O4.C26H23ClFN3O4.C26H25N3O4/c1-16-4-3-5-18(10-16)37-19-8-9-21(23(29)11-19)27(35)22-12-31-28-25(22)26(24(30-2)13-32-28)33-17-6-7-20(14-34)36-15-17;1-30-22-12-32-27-24(25(22)33-15-6-7-17(13-34)36-14-15)19(11-31-27)26(35)18-9-8-16(10-20(18)28)37-23-5-3-2-4-21(23)29;1-16-3-2-4-18(11-16)35-19-7-8-21(23(28)12-19)26(33)22-13-30-27-25(22)24(9-10-29-27)31-17-5-6-20(14-32)34-15-17;1-28-23-14-30-27-24(25(23)31-18-9-12-21(15-32)34-16-18)22(13-29-27)26(33)17-7-10-20(11-8-17)35-19-5-3-2-4-6-19;27-20-11-16(35-23-4-2-1-3-21(23)28)7-8-18(20)25(33)19-12-30-26-24(19)22(9-10-29-26)31-15-5-6-17(13-32)34-14-15;30-15-21-11-8-18(16-32-21)29-23-12-13-27-26-24(23)22(14-28-26)25(31)17-6-9-20(10-7-17)33-19-4-2-1-3-5-19/h3-5,8-13,17,20,34H,6-7,14-15H2,1H3,(H2,31,32,33);2-5,8-12,15,17,34H,6-7,13-14H2,(H2,31,32,33);2-4,7-13,17,20,32H,5-6,14-15H2,1H3,(H2,29,30,31);2-8,10-11,13-14,18,21,32H,9,12,15-16H2,(H2,29,30,31);1-4,7-12,15,17,32H,5-6,13-14H2,(H2,29,30,31);1-7,9-10,12-14,18,21,30H,8,11,15-16H2,(H2,27,28,29)/t17-,20+;15-,17+;17-,20+;18-,21+;15-,17+;18-,21+/m111111/s1.

What are the key properties of [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone?

[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 2937.86 g/mol, XLogP of 32.39, 42 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(2-fluorophenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2-chloro-4-(3-methylphenoxy)phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone;[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 167631086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).