tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate

C41H55N5O4Si — CID 155630544

IUPACtert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c(OC3CCCN(C(=O)OC(C)(C)C)C3)cnc21
InChIInChI=1S/C41H55N5O4Si/c1-27(2)51(28(3)4,29(5)6)46-21-18-35-38(32-22-31(23-42-24-32)30-14-16-33(17-15-30)45-20-11-13-37(45)47)36(25-43-39(35)46)49-34-12-10-19-44(26-34)40(48)50-41(7,8)9/h14-18,21-25,27-29,34H,10-13,19-20,26H2,1-9H3
InChIKeyPTDZRUYFBPUCCX-UHFFFAOYSA-N
MW710.01 g/mol
LogP9.69
Rot. Bonds9

About tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate

tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate (PubChem CID 155630544) has the molecular formula C41H55N5O4Si and a molecular weight of 710.01 g/mol. Its IUPAC name is tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate
PubChem CID155630544
Molecular FormulaC41H55N5O4Si
Molecular Weight710.01 g/mol
Exact Mass709.40
IUPAC Nametert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c(OC3CCCN(C(=O)OC(C)(C)C)C3)cnc21
InChIInChI=1S/C41H55N5O4Si/c1-27(2)51(28(3)4,29(5)6)46-21-18-35-38(32-22-31(23-42-24-32)30-14-16-33(17-15-30)45-20-11-13-37(45)47)36(25-43-39(35)46)49-34-12-10-19-44(26-34)40(48)50-41(7,8)9/h14-18,21-25,27-29,34H,10-13,19-20,26H2,1-9H3
InChIKeyPTDZRUYFBPUCCX-UHFFFAOYSA-N
XLogP9.69
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.01
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[1-methyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylate
CID 155210762
tert-butyl 4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate
CID 160911542
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126598466
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 147144985
tert-butyl (3S)-3-[2-amino-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 126674607

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate (CID 155630544) is tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c(OC3CCCN(C(=O)OC(C)(C)C)C3)cnc21.
What is the InChIKey of tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate?
The InChIKey is PTDZRUYFBPUCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H55N5O4Si/c1-27(2)51(28(3)4,29(5)6)46-21-18-35-38(32-22-31(23-42-24-32)30-14-16-33(17-15-30)45-20-11-13-37(45)47)36(25-43-39(35)46)49-34-12-10-19-44(26-34)40(48)50-41(7,8)9/h14-18,21-25,27-29,34H,10-13,19-20,26H2,1-9H3.
What are the key properties of tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate?
tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate has a molecular weight of 710.01 g/mol, XLogP of 9.69, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 155630544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).