N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

C71H86ClN11Si2 — CID 157401891

About N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 157401891) has the molecular formula C71H86ClN11Si2 and a molecular weight of 1185.17 g/mol. Its IUPAC name is N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
• PubChem CID: 157401891
• Molecular Formula: C71H86ClN11Si2
• Molecular Weight: 1185.17 g/mol
• Exact Mass: 1183.63
• IUPAC Name: N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Cl)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(NCc3ccccc3)nc2)c2cccnc21.c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
• InChI: InChI=1S/C29H38N4Si.C22H30ClN3Si.C20H18N4/c1-21(2)34(22(3)4,23(5)6)33-20-26(27-13-10-16-30-29(27)33)17-25-14-15-28(32-19-25)31-18-24-11-8-7-9-12-24;1-15(2)27(16(3)4,17(5)6)26-14-19(20-8-7-11-24-22(20)26)12-18-9-10-21(23)25-13-18;1-2-5-15(6-3-1)12-22-19-9-8-16(13-23-19)11-17-14-24-20-18(17)7-4-10-21-20/h7-16,19-23H,17-18H2,1-6H3,(H,31,32);7-11,13-17H,12H2,1-6H3;1-10,13-14H,11-12H2,(H,21,24)(H,22,23)
• InChIKey: BNGOFGAYJFGOEV-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 127.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.17
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The IUPAC name of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 157401891) is N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

What is the SMILES notation for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The canonical SMILES for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Cl)nc2)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(NCc3ccccc3)nc2)c2cccnc21.c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.

What is the InChIKey of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

The InChIKey is BNGOFGAYJFGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4Si.C22H30ClN3Si.C20H18N4/c1-21(2)34(22(3)4,23(5)6)33-20-26(27-13-10-16-30-29(27)33)17-25-14-15-28(32-19-25)31-18-24-11-8-7-9-12-24;1-15(2)27(16(3)4,17(5)6)26-14-19(20-8-7-11-24-22(20)26)12-18-9-10-21(23)25-13-18;1-2-5-15(6-3-1)12-22-19-9-8-16(13-23-19)11-17-14-24-20-18(17)7-4-10-21-20/h7-16,19-23H,17-18H2,1-6H3,(H,31,32);7-11,13-17H,12H2,1-6H3;1-10,13-14H,11-12H2,(H,21,24)(H,22,23).

What are the key properties of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?

N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 1185.17 g/mol, XLogP of 18.52, 20 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 157401891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).