tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane

C86H104Cl3IN14O6Si2 — CID 159254330

About tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane

tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane (PubChem CID 159254330) has the molecular formula C86H104Cl3IN14O6Si2 and a molecular weight of 1719.30 g/mol. Its IUPAC name is tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane
• PubChem CID: 159254330
• Molecular Formula: C86H104Cl3IN14O6Si2
• Molecular Weight: 1719.30 g/mol
• Exact Mass: 1716.59
• IUPAC Name: tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane
• SMILES: CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)c1ccc(C=O)cn1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(N(Cc3ccc(Cl)cc3)C(=O)OC(C)(C)C)nc2)c2cncnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cncnc21.Clc1ccc(CCc2ccc(Cc3c[nH]c4ncncc34)cn2)cc1
• InChI: InChI=1S/C33H44ClN5O3Si.C20H17ClN4.C18H19ClN2O3.C15H24IN3Si/c1-21(2)43(22(3)4,23(5)6)39-19-28(27-17-35-20-37-31(27)39)30(40)25-12-15-29(36-16-25)38(32(41)42-33(7,8)9)18-24-10-13-26(34)14-11-24;21-17-5-1-14(2-6-17)3-7-18-8-4-15(10-23-18)9-16-11-24-20-19(16)12-22-13-25-20;1-18(2,3)24-17(23)21(11-13-4-7-15(19)8-5-13)16-9-6-14(12-22)10-20-16;1-10(2)20(11(3)4,12(5)6)19-8-14(16)13-7-17-9-18-15(13)19/h10-17,19-23,30,40H,18H2,1-9H3;1-2,4-6,8,10-13H,3,7,9H2,(H,22,24,25);4-10,12H,11H2,1-3H3;7-12H,1-6H3
• InChIKey: KVRTVALQDRHMCS-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 238.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1719.30
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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 tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane?

The IUPAC name of tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane (CID 159254330) is tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane.

What is the SMILES notation for tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane?

The canonical SMILES for tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane is CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)c1ccc(C=O)cn1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(N(Cc3ccc(Cl)cc3)C(=O)OC(C)(C)C)nc2)c2cncnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cncnc21.Clc1ccc(CCc2ccc(Cc3c[nH]c4ncncc34)cn2)cc1.

What is the InChIKey of tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane?

The InChIKey is KVRTVALQDRHMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44ClN5O3Si.C20H17ClN4.C18H19ClN2O3.C15H24IN3Si/c1-21(2)43(22(3)4,23(5)6)39-19-28(27-17-35-20-37-31(27)39)30(40)25-12-15-29(36-16-25)38(32(41)42-33(7,8)9)18-24-10-13-26(34)14-11-24;21-17-5-1-14(2-6-17)3-7-18-8-4-15(10-23-18)9-16-11-24-20-19(16)12-22-13-25-20;1-18(2,3)24-17(23)21(11-13-4-7-15(19)8-5-13)16-9-6-14(12-22)10-20-16;1-10(2)20(11(3)4,12(5)6)19-8-14(16)13-7-17-9-18-15(13)19/h10-17,19-23,30,40H,18H2,1-9H3;1-2,4-6,8,10-13H,3,7,9H2,(H,22,24,25);4-10,12H,11H2,1-3H3;7-12H,1-6H3.

What are the key properties of tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane?

tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane has a molecular weight of 1719.30 g/mol, XLogP of 22.46, 22 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;5-[[6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 159254330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).