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

C38H51N7O3Si — CID 140700955

IUPACtert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[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(-c3cnc(C)nc3)nc2c1
InChIInChI=1S/C38H51N7O3Si/c1-23(2)49(24(3)4,25(5)6)19-17-31-30(14-15-32(41-31)42-36(46)27(8)44(13)37(47)48-38(10,11)12)35-34(29-21-39-28(9)40-22-29)43-33-20-26(7)16-18-45(33)35/h14-16,18,20-25,27H,1-13H3,(H,41,42,46)
InChIKeyBDUNNMLECMVXJV-UHFFFAOYSA-N
MW681.96 g/mol
LogP8.23
Rot. Bonds8

About tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[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-(2-methylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 140700955) has the molecular formula C38H51N7O3Si and a molecular weight of 681.96 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[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-(2-methylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID140700955
Molecular FormulaC38H51N7O3Si
Molecular Weight681.96 g/mol
Exact Mass681.38
IUPAC Nametert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[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(-c3cnc(C)nc3)nc2c1
InChIInChI=1S/C38H51N7O3Si/c1-23(2)49(24(3)4,25(5)6)19-17-31-30(14-15-32(41-31)42-36(46)27(8)44(13)37(47)48-38(10,11)12)35-34(29-21-39-28(9)40-22-29)43-33-20-26(7)16-18-45(33)35/h14-16,18,20-25,27H,1-13H3,(H,41,42,46)
InChIKeyBDUNNMLECMVXJV-UHFFFAOYSA-N
XLogP8.23
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.96
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2-methylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[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-(2-methylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (CID 140700955) is tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[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-(2-methylpyrimidin-5-yl)imidazo[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-(2-methylpyrimidin-5-yl)imidazo[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(-c3cnc(C)nc3)nc2c1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is BDUNNMLECMVXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N7O3Si/c1-23(2)49(24(3)4,25(5)6)19-17-31-30(14-15-32(41-31)42-36(46)27(8)44(13)37(47)48-38(10,11)12)35-34(29-21-39-28(9)40-22-29)43-33-20-26(7)16-18-45(33)35/h14-16,18,20-25,27H,1-13H3,(H,41,42,46).
What are the key properties of tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[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-(2-methylpyrimidin-5-yl)imidazo[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 681.96 g/mol, XLogP of 8.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(2-methylpyrimidin-5-yl)imidazo[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 140700955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).