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

C37H51N7O3Si — CID 140700956

IUPACtert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(3-methylimidazol-4-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(-c3cncn3C)nc2c1
InChIInChI=1S/C37H51N7O3Si/c1-23(2)48(24(3)4,25(5)6)19-17-29-28(14-15-31(39-29)40-35(45)27(8)43(13)36(46)47-37(9,10)11)34-33(30-21-38-22-42(30)12)41-32-20-26(7)16-18-44(32)34/h14-16,18,20-25,27H,1-13H3,(H,39,40,45)
InChIKeyNRJWUFRYEXUMDV-UHFFFAOYSA-N
MW669.95 g/mol
LogP7.87
Rot. Bonds8

About tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-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 140700956) has the molecular formula C37H51N7O3Si and a molecular weight of 669.95 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID140700956
Molecular FormulaC37H51N7O3Si
Molecular Weight669.95 g/mol
Exact Mass669.38
IUPAC Nametert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(3-methylimidazol-4-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(-c3cncn3C)nc2c1
InChIInChI=1S/C37H51N7O3Si/c1-23(2)48(24(3)4,25(5)6)19-17-29-28(14-15-31(39-29)40-35(45)27(8)43(13)36(46)47-37(9,10)11)34-33(30-21-38-22-42(30)12)41-32-20-26(7)16-18-44(32)34/h14-16,18,20-25,27H,1-13H3,(H,39,40,45)
InChIKeyNRJWUFRYEXUMDV-UHFFFAOYSA-N
XLogP7.87
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.95
LogP ≤ 57.87
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-(3-methylimidazol-4-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-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-6-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (CID 140700956) is tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-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-(3-methylimidazol-4-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(-c3cncn3C)nc2c1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(3-methylimidazol-4-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 NRJWUFRYEXUMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N7O3Si/c1-23(2)48(24(3)4,25(5)6)19-17-29-28(14-15-31(39-29)40-35(45)27(8)43(13)36(46)47-37(9,10)11)34-33(30-21-38-22-42(30)12)41-32-20-26(7)16-18-44(32)34/h14-16,18,20-25,27H,1-13H3,(H,39,40,45).
What are the key properties of tert-butyl N-methyl-N-[1-[[5-[7-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-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 669.95 g/mol, XLogP of 7.87, 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-(3-methylimidazol-4-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 140700956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).