tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate

C38H50N6O3Si — CID 86694385

IUPACtert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCc1ccn2c(-c3ccc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)nc3C#C[Si](C(C)C)(C(C)C)C(C)C)c(-c3ccncc3)nc2c1
InChIInChI=1S/C38H50N6O3Si/c1-24(2)48(25(3)4,26(5)6)22-18-31-30(13-14-32(40-31)41-36(45)28(8)43(12)37(46)47-38(9,10)11)35-34(29-15-19-39-20-16-29)42-33-23-27(7)17-21-44(33)35/h13-17,19-21,23-26,28H,1-12H3,(H,40,41,45)
InChIKeyALXYLRIIVWODAO-UHFFFAOYSA-N
MW666.94 g/mol
LogP8.53
Rot. Bonds8

About tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 86694385) has the molecular formula C38H50N6O3Si and a molecular weight of 666.94 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID86694385
Molecular FormulaC38H50N6O3Si
Molecular Weight666.94 g/mol
Exact Mass666.37
IUPAC Nametert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCc1ccn2c(-c3ccc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)nc3C#C[Si](C(C)C)(C(C)C)C(C)C)c(-c3ccncc3)nc2c1
InChIInChI=1S/C38H50N6O3Si/c1-24(2)48(25(3)4,26(5)6)22-18-31-30(13-14-32(40-31)41-36(45)28(8)43(12)37(46)47-38(9,10)11)35-34(29-15-19-39-20-16-29)42-33-23-27(7)17-21-44(33)35/h13-17,19-21,23-26,28H,1-12H3,(H,40,41,45)
InChIKeyALXYLRIIVWODAO-UHFFFAOYSA-N
XLogP8.53
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.94
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (CID 86694385) is tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate is Cc1ccn2c(-c3ccc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)nc3C#C[Si](C(C)C)(C(C)C)C(C)C)c(-c3ccncc3)nc2c1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is ALXYLRIIVWODAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N6O3Si/c1-24(2)48(25(3)4,26(5)6)22-18-31-30(13-14-32(40-31)41-36(45)28(8)43(12)37(46)47-38(9,10)11)35-34(29-15-19-39-20-16-29)42-33-23-27(7)17-21-44(33)35/h13-17,19-21,23-26,28H,1-12H3,(H,40,41,45).
What are the key properties of tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 666.94 g/mol, XLogP of 8.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[[5-(7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 86694385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).