N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine

C28H38N6OSi — CID 142603727

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(-c3ccccc3)c3cc(NC4CCC(O[Si](C)(C)C(C)(C)C)CC4)ncc23)cn1
InChIInChI=1S/C28H38N6OSi/c1-28(2,3)36(5,6)35-23-14-12-21(13-15-23)31-26-16-25-24(18-29-26)27(20-17-30-33(4)19-20)32-34(25)22-10-8-7-9-11-22/h7-11,16-19,21,23H,12-15H2,1-6H3,(H,29,31)
InChIKeyGTLMIESTDBDBEB-UHFFFAOYSA-N
MW502.74 g/mol
LogP6.57
Rot. Bonds6

About N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine

N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine (PubChem CID 142603727) has the molecular formula C28H38N6OSi and a molecular weight of 502.74 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine
PubChem CID142603727
Molecular FormulaC28H38N6OSi
Molecular Weight502.74 g/mol
Exact Mass502.29
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(-c3ccccc3)c3cc(NC4CCC(O[Si](C)(C)C(C)(C)C)CC4)ncc23)cn1
InChIInChI=1S/C28H38N6OSi/c1-28(2,3)36(5,6)35-23-14-12-21(13-15-23)31-26-16-25-24(18-29-26)27(20-17-30-33(4)19-20)32-34(25)22-10-8-7-9-11-22/h7-11,16-19,21,23H,12-15H2,1-6H3,(H,29,31)
InChIKeyGTLMIESTDBDBEB-UHFFFAOYSA-N
XLogP6.57
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.74
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine (CID 142603727) is N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine is Cn1cc(-c2nn(-c3ccccc3)c3cc(NC4CCC(O[Si](C)(C)C(C)(C)C)CC4)ncc23)cn1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is GTLMIESTDBDBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6OSi/c1-28(2,3)36(5,6)35-23-14-12-21(13-15-23)31-26-16-25-24(18-29-26)27(20-17-30-33(4)19-20)32-34(25)22-10-8-7-9-11-22/h7-11,16-19,21,23H,12-15H2,1-6H3,(H,29,31).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine?
N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 502.74 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 142603727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).