1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine

C23H35N3OSi — CID 171567743

IUPAC1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine
SMILESCC(C)[Si](C#Cc1cc2c(cnn2C2CCCCO2)cc1N)(C(C)C)C(C)C
InChIInChI=1S/C23H35N3OSi/c1-16(2)28(17(3)4,18(5)6)12-10-19-14-22-20(13-21(19)24)15-25-26(22)23-9-7-8-11-27-23/h13-18,23H,7-9,11,24H2,1-6H3
InChIKeyVBNBUNSGUWSUSW-UHFFFAOYSA-N
MW397.64 g/mol
LogP5.89
Rot. Bonds4

About 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine

1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine (PubChem CID 171567743) has the molecular formula C23H35N3OSi and a molecular weight of 397.64 g/mol. Its IUPAC name is 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine
PubChem CID171567743
Molecular FormulaC23H35N3OSi
Molecular Weight397.64 g/mol
Exact Mass397.25
IUPAC Name1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine
SMILESCC(C)[Si](C#Cc1cc2c(cnn2C2CCCCO2)cc1N)(C(C)C)C(C)C
InChIInChI=1S/C23H35N3OSi/c1-16(2)28(17(3)4,18(5)6)12-10-19-14-22-20(13-21(19)24)15-25-26(22)23-9-7-8-11-27-23/h13-18,23H,7-9,11,24H2,1-6H3
InChIKeyVBNBUNSGUWSUSW-UHFFFAOYSA-N
XLogP5.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine with MolForge

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Related Compounds

5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-6-amine
CID 59276653
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
tert-butyl 4-[5-amino-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
CID 126486097
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
CID 126485697
1-(oxan-2-yl)-5-pent-1-ynylindazole
CID 66793301

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine?
The IUPAC name of 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine (CID 171567743) is 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine.
What is the SMILES notation for 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine?
The canonical SMILES for 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine is CC(C)[Si](C#Cc1cc2c(cnn2C2CCCCO2)cc1N)(C(C)C)C(C)C.
What is the InChIKey of 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine?
The InChIKey is VBNBUNSGUWSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3OSi/c1-16(2)28(17(3)4,18(5)6)12-10-19-14-22-20(13-21(19)24)15-25-26(22)23-9-7-8-11-27-23/h13-18,23H,7-9,11,24H2,1-6H3.
What are the key properties of 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine?
1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine has a molecular weight of 397.64 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine is sourced from PubChem (CID 171567743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).