N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide

C20H29N5O2SSi — CID 170583491

IUPACN-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide
SMILESCCn1ncc2c(Nc3ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)cc3)ccnc21
InChIInChI=1S/C20H29N5O2SSi/c1-7-25-19-17(14-22-25)18(12-13-21-19)23-15-8-10-16(11-9-15)28(26,27)24-29(5,6)20(2,3)4/h8-14,24H,7H2,1-6H3,(H,21,23)
InChIKeyONZNUIDQCPPKQJ-UHFFFAOYSA-N
MW431.64 g/mol
LogP4.48
Rot. Bonds6

About N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide

N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide (PubChem CID 170583491) has the molecular formula C20H29N5O2SSi and a molecular weight of 431.64 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide
PubChem CID170583491
Molecular FormulaC20H29N5O2SSi
Molecular Weight431.64 g/mol
Exact Mass431.18
IUPAC NameN-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide
SMILESCCn1ncc2c(Nc3ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)cc3)ccnc21
InChIInChI=1S/C20H29N5O2SSi/c1-7-25-19-17(14-22-25)18(12-13-21-19)23-15-8-10-16(11-9-15)28(26,27)24-29(5,6)20(2,3)4/h8-14,24H,7H2,1-6H3,(H,21,23)
InChIKeyONZNUIDQCPPKQJ-UHFFFAOYSA-N
XLogP4.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.64
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide (CID 170583491) is N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide is CCn1ncc2c(Nc3ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)cc3)ccnc21.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide?
The InChIKey is ONZNUIDQCPPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2SSi/c1-7-25-19-17(14-22-25)18(12-13-21-19)23-15-8-10-16(11-9-15)28(26,27)24-29(5,6)20(2,3)4/h8-14,24H,7H2,1-6H3,(H,21,23).
What are the key properties of N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide?
N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide has a molecular weight of 431.64 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-4-[(1-ethylpyrazolo[3,4-b]pyridin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 170583491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).