N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C29H37N7O2Si — CID 70814928

IUPACN-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C29H37N7O2Si/c1-7-22-27-23(32-28(37)25-18-30-26-13-8-9-14-35(25)26)11-10-12-24(27)36(33-22)20-21-17-31-34(19-21)15-16-38-39(5,6)29(2,3)4/h8-14,17-19H,7,15-16,20H2,1-6H3,(H,32,37)
InChIKeyNIFHAPGHLJZDOG-UHFFFAOYSA-N
MW543.75 g/mol
LogP5.77
Rot. Bonds9

About N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70814928) has the molecular formula C29H37N7O2Si and a molecular weight of 543.75 g/mol. Its IUPAC name is N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70814928
Molecular FormulaC29H37N7O2Si
Molecular Weight543.75 g/mol
Exact Mass543.28
IUPAC NameN-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C29H37N7O2Si/c1-7-22-27-23(32-28(37)25-18-30-26-13-8-9-14-35(25)26)11-10-12-24(27)36(33-22)20-21-17-31-34(19-21)15-16-38-39(5,6)29(2,3)4/h8-14,17-19H,7,15-16,20H2,1-6H3,(H,32,37)
InChIKeyNIFHAPGHLJZDOG-UHFFFAOYSA-N
XLogP5.77
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.75
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 70814928) is N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NIFHAPGHLJZDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2Si/c1-7-22-27-23(32-28(37)25-18-30-26-13-8-9-14-35(25)26)11-10-12-24(27)36(33-22)20-21-17-31-34(19-21)15-16-38-39(5,6)29(2,3)4/h8-14,17-19H,7,15-16,20H2,1-6H3,(H,32,37).
What are the key properties of N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 543.75 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70814928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).