3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C26H45N7O2Si2 — CID 71199054

IUPAC3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)cc(N4CCCC4)nc23)cn1
InChIInChI=1S/C26H45N7O2Si2/c1-30-19-22(17-27-30)23-18-28-33-25(16-24(29-26(23)33)31-10-8-9-11-31)32(20-34-12-14-36(2,3)4)21-35-13-15-37(5,6)7/h16-19H,8-15,20-21H2,1-7H3
InChIKeyINTDDDXBKMMWMP-UHFFFAOYSA-N
MW543.87 g/mol
LogP5.16
Rot. Bonds13

About 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71199054) has the molecular formula C26H45N7O2Si2 and a molecular weight of 543.87 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71199054
Molecular FormulaC26H45N7O2Si2
Molecular Weight543.87 g/mol
Exact Mass543.32
IUPAC Name3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)cc(N4CCCC4)nc23)cn1
InChIInChI=1S/C26H45N7O2Si2/c1-30-19-22(17-27-30)23-18-28-33-25(16-24(29-26(23)33)31-10-8-9-11-31)32(20-34-12-14-36(2,3)4)21-35-13-15-37(5,6)7/h16-19H,8-15,20-21H2,1-7H3
InChIKeyINTDDDXBKMMWMP-UHFFFAOYSA-N
XLogP5.16
TPSA72.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.87
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71199054) is 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)cc(N4CCCC4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is INTDDDXBKMMWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N7O2Si2/c1-30-19-22(17-27-30)23-18-28-33-25(16-24(29-26(23)33)31-10-8-9-11-31)32(20-34-12-14-36(2,3)4)21-35-13-15-37(5,6)7/h16-19H,8-15,20-21H2,1-7H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 543.87 g/mol, XLogP of 5.16, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71199054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).