N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C33H47N3O3Si — CID 90090855

IUPACN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCC3CCC4(CCC4)CC3)cccn2c1C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C33H47N3O3Si/c1-24-29(31(37)35-27(26-12-8-7-9-13-26)23-39-40(5,6)32(2,3)4)36-21-10-14-28(30(36)34-24)38-22-25-15-19-33(20-16-25)17-11-18-33/h7-10,12-14,21,25,27H,11,15-20,22-23H2,1-6H3,(H,35,37)/t27-/m0/s1
InChIKeyWCJIBOVMGJJMQJ-MHZLTWQESA-N
MW561.84 g/mol
LogP7.87
Rot. Bonds9

About N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090855) has the molecular formula C33H47N3O3Si and a molecular weight of 561.84 g/mol. Its IUPAC name is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90090855
Molecular FormulaC33H47N3O3Si
Molecular Weight561.84 g/mol
Exact Mass561.34
IUPAC NameN-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCC3CCC4(CCC4)CC3)cccn2c1C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C33H47N3O3Si/c1-24-29(31(37)35-27(26-12-8-7-9-13-26)23-39-40(5,6)32(2,3)4)36-21-10-14-28(30(36)34-24)38-22-25-15-19-33(20-16-25)17-11-18-33/h7-10,12-14,21,25,27H,11,15-20,22-23H2,1-6H3,(H,35,37)/t27-/m0/s1
InChIKeyWCJIBOVMGJJMQJ-MHZLTWQESA-N
XLogP7.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.84
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 90090855) is N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCC3CCC4(CCC4)CC3)cccn2c1C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WCJIBOVMGJJMQJ-MHZLTWQESA-N. The full InChI is InChI=1S/C33H47N3O3Si/c1-24-29(31(37)35-27(26-12-8-7-9-13-26)23-39-40(5,6)32(2,3)4)36-21-10-14-28(30(36)34-24)38-22-25-15-19-33(20-16-25)17-11-18-33/h7-10,12-14,21,25,27H,11,15-20,22-23H2,1-6H3,(H,35,37)/t27-/m0/s1.
What are the key properties of N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 561.84 g/mol, XLogP of 7.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-(spiro[3.5]nonan-7-ylmethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).