N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H33N7O2Si — CID 71279611

IUPACN-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2ncccc21
InChIInChI=1S/C24H33N7O2Si/c1-24(2,3)28-23(32)16-14-31(15-33-11-12-34(5,6)7)22-19(16)27-17(13-26-22)20-21-18(30(4)29-20)9-8-10-25-21/h8-10,13-14H,11-12,15H2,1-7H3,(H,28,32)
InChIKeyVQKIOUZPROANDH-UHFFFAOYSA-N
MW479.66 g/mol
LogP4.22
Rot. Bonds7

About N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279611) has the molecular formula C24H33N7O2Si and a molecular weight of 479.66 g/mol. Its IUPAC name is N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279611
Molecular FormulaC24H33N7O2Si
Molecular Weight479.66 g/mol
Exact Mass479.25
IUPAC NameN-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2ncccc21
InChIInChI=1S/C24H33N7O2Si/c1-24(2,3)28-23(32)16-14-31(15-33-11-12-34(5,6)7)22-19(16)27-17(13-26-22)20-21-18(30(4)29-20)9-8-10-25-21/h8-10,13-14H,11-12,15H2,1-7H3,(H,28,32)
InChIKeyVQKIOUZPROANDH-UHFFFAOYSA-N
XLogP4.22
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.66
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279611) is N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2ncccc21.
What is the InChIKey of N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is VQKIOUZPROANDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2Si/c1-24(2,3)28-23(32)16-14-31(15-33-11-12-34(5,6)7)22-19(16)27-17(13-26-22)20-21-18(30(4)29-20)9-8-10-25-21/h8-10,13-14H,11-12,15H2,1-7H3,(H,28,32).
What are the key properties of N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 479.66 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).