(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde

C114H123Cl4F4IN20O5Si2 — CID 162132595

About (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde

(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde (PubChem CID 162132595) has the molecular formula C114H123Cl4F4IN20O5Si2 and a molecular weight of 2254.25 g/mol. Its IUPAC name is (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde.

Molecular Properties

• Compound Name: (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
• PubChem CID: 162132595
• Molecular Formula: C114H123Cl4F4IN20O5Si2
• Molecular Weight: 2254.25 g/mol
• Exact Mass: 2250.73
• IUPAC Name: (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COc1ccc(Cn2nc(NCc3ccc(F)cc3)cc2C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncc(Cl)cc23)cc1.COc1ccc(Cn2nc(NCc3ccc(F)cc3)cc2C=O)cc1.COc1ccc(Cn2nc(NCc3ccc(F)cc3)cc2Cc2c[nH]c3ncc(Cl)cc23)cc1.Fc1ccc(CNc2cc(Cc3c[nH]c4ncc(Cl)cc34)[nH]n2)cc1
• InChI: InChI=1S/C35H43ClFN5O2Si.C26H23ClFN5O.C19H18FN3O2.C18H15ClFN5.C16H24ClIN2Si/c1-22(2)45(23(3)4,24(5)6)42-21-31(30-16-27(36)19-39-35(30)42)34(43)32-17-33(38-18-25-8-12-28(37)13-9-25)40-41(32)20-26-10-14-29(44-7)15-11-26;1-34-23-8-4-18(5-9-23)16-33-22(10-19-14-30-26-24(19)11-20(27)15-31-26)12-25(32-33)29-13-17-2-6-21(28)7-3-17;1-25-18-8-4-15(5-9-18)12-23-17(13-24)10-19(22-23)21-11-14-2-6-16(20)7-3-14;19-13-6-16-12(9-22-18(16)23-10-13)5-15-7-17(25-24-15)21-8-11-1-3-14(20)4-2-11;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h8-17,19,21-24,34,43H,18,20H2,1-7H3,(H,38,40);2-9,11-12,14-15H,10,13,16H2,1H3,(H,29,32)(H,30,31);2-10,13H,11-12H2,1H3,(H,21,22);1-4,6-7,9-10H,5,8H2,(H,22,23)(H2,21,24,25);7-12H,1-6H3
• InChIKey: ZIVZHZOURFANAZ-UHFFFAOYSA-N
• XLogP: 28.71
• TPSA: 288.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2254.25
LogP ≤ 5	28.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde?

The IUPAC name of (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde (CID 162132595) is (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde.

What is the SMILES notation for (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde?

The canonical SMILES for (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COc1ccc(Cn2nc(NCc3ccc(F)cc3)cc2C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncc(Cl)cc23)cc1.COc1ccc(Cn2nc(NCc3ccc(F)cc3)cc2C=O)cc1.COc1ccc(Cn2nc(NCc3ccc(F)cc3)cc2Cc2c[nH]c3ncc(Cl)cc23)cc1.Fc1ccc(CNc2cc(Cc3c[nH]c4ncc(Cl)cc34)[nH]n2)cc1.

What is the InChIKey of (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde?

The InChIKey is ZIVZHZOURFANAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43ClFN5O2Si.C26H23ClFN5O.C19H18FN3O2.C18H15ClFN5.C16H24ClIN2Si/c1-22(2)45(23(3)4,24(5)6)42-21-31(30-16-27(36)19-39-35(30)42)34(43)32-17-33(38-18-25-8-12-28(37)13-9-25)40-41(32)20-26-10-14-29(44-7)15-11-26;1-34-23-8-4-18(5-9-23)16-33-22(10-19-14-30-26-24(19)11-20(27)15-31-26)12-25(32-33)29-13-17-2-6-21(28)7-3-17;1-25-18-8-4-15(5-9-18)12-23-17(13-24)10-19(22-23)21-11-14-2-6-16(20)7-3-14;19-13-6-16-12(9-22-18(16)23-10-13)5-15-7-17(25-24-15)21-8-11-1-3-14(20)4-2-11;1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20/h8-17,19,21-24,34,43H,18,20H2,1-7H3,(H,38,40);2-9,11-12,14-15H,10,13,16H2,1H3,(H,29,32)(H,30,31);2-10,13H,11-12H2,1H3,(H,21,22);1-4,6-7,9-10H,5,8H2,(H,22,23)(H2,21,24,25);7-12H,1-6H3.

What are the key properties of (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde?

(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde has a molecular weight of 2254.25 g/mol, XLogP of 28.71, 36 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazol-3-amine;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]-[3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]methanol;3-[(4-fluorophenyl)methylamino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde is sourced from PubChem (CID 162132595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).