N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine

C30H36N6O3Si — CID 87867933

IUPACN-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)O/N=C1\CCc2cc(Nc3c(-c4nccc(N5CCOCC5)n4)oc4cnccc34)ccc21
InChIInChI=1S/C30H36N6O3Si/c1-30(2,3)40(4,5)39-35-24-9-6-20-18-21(7-8-22(20)24)33-27-23-10-12-31-19-25(23)38-28(27)29-32-13-11-26(34-29)36-14-16-37-17-15-36/h7-8,10-13,18-19,33H,6,9,14-17H2,1-5H3/b35-24+
InChIKeyUZONWDZLIMXILE-JWHWKPFMSA-N
MW556.74 g/mol
LogP6.54
Rot. Bonds6

About N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine

N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine (PubChem CID 87867933) has the molecular formula C30H36N6O3Si and a molecular weight of 556.74 g/mol. Its IUPAC name is N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
PubChem CID87867933
Molecular FormulaC30H36N6O3Si
Molecular Weight556.74 g/mol
Exact Mass556.26
IUPAC NameN-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine
SMILESCC(C)(C)[Si](C)(C)O/N=C1\CCc2cc(Nc3c(-c4nccc(N5CCOCC5)n4)oc4cnccc34)ccc21
InChIInChI=1S/C30H36N6O3Si/c1-30(2,3)40(4,5)39-35-24-9-6-20-18-21(7-8-22(20)24)33-27-23-10-12-31-19-25(23)38-28(27)29-32-13-11-26(34-29)36-14-16-37-17-15-36/h7-8,10-13,18-19,33H,6,9,14-17H2,1-5H3/b35-24+
InChIKeyUZONWDZLIMXILE-JWHWKPFMSA-N
XLogP6.54
TPSA97.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.74
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine?
The IUPAC name of N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine (CID 87867933) is N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine?
The canonical SMILES for N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine is CC(C)(C)[Si](C)(C)O/N=C1\CCc2cc(Nc3c(-c4nccc(N5CCOCC5)n4)oc4cnccc34)ccc21.
What is the InChIKey of N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine?
The InChIKey is UZONWDZLIMXILE-JWHWKPFMSA-N. The full InChI is InChI=1S/C30H36N6O3Si/c1-30(2,3)40(4,5)39-35-24-9-6-20-18-21(7-8-22(20)24)33-27-23-10-12-31-19-25(23)38-28(27)29-32-13-11-26(34-29)36-14-16-37-17-15-36/h7-8,10-13,18-19,33H,6,9,14-17H2,1-5H3/b35-24+.
What are the key properties of N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine?
N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine has a molecular weight of 556.74 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]-2-(4-morpholin-4-ylpyrimidin-2-yl)furo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 87867933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).