2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C25H31N5OSi — CID 153434265

IUPAC2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)c(C3CC3)c2-c2ccc3nccn3c2)n1
InChIInChI=1S/C25H31N5OSi/c1-18-6-5-7-21(27-18)24-23(20-10-11-22-26-12-13-29(22)16-20)25(19-8-9-19)30(28-24)17-31-14-15-32(2,3)4/h5-7,10-13,16,19H,8-9,14-15,17H2,1-4H3
InChIKeyATBQPRZWHRKCKW-UHFFFAOYSA-N
MW445.64 g/mol
LogP5.76
Rot. Bonds8

About 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153434265) has the molecular formula C25H31N5OSi and a molecular weight of 445.64 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID153434265
Molecular FormulaC25H31N5OSi
Molecular Weight445.64 g/mol
Exact Mass445.23
IUPAC Name2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)c(C3CC3)c2-c2ccc3nccn3c2)n1
InChIInChI=1S/C25H31N5OSi/c1-18-6-5-7-21(27-18)24-23(20-10-11-22-26-12-13-29(22)16-20)25(19-8-9-19)30(28-24)17-31-14-15-32(2,3)4/h5-7,10-13,16,19H,8-9,14-15,17H2,1-4H3
InChIKeyATBQPRZWHRKCKW-UHFFFAOYSA-N
XLogP5.76
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.64
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153434265) is 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc(-c2nn(COCC[Si](C)(C)C)c(C3CC3)c2-c2ccc3nccn3c2)n1.
What is the InChIKey of 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ATBQPRZWHRKCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5OSi/c1-18-6-5-7-21(27-18)24-23(20-10-11-22-26-12-13-29(22)16-20)25(19-8-9-19)30(28-24)17-31-14-15-32(2,3)4/h5-7,10-13,16,19H,8-9,14-15,17H2,1-4H3.
What are the key properties of 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 445.64 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153434265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).