1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide

C26H39N3OSi — CID 155618833

IUPAC1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide
SMILESCC(C)[Si](C#CC1CCCC(NC(=O)c2nn(C)c3ccccc23)C1)(C(C)C)C(C)C
InChIInChI=1S/C26H39N3OSi/c1-18(2)31(19(3)4,20(5)6)16-15-21-11-10-12-22(17-21)27-26(30)25-23-13-8-9-14-24(23)29(7)28-25/h8-9,13-14,18-22H,10-12,17H2,1-7H3,(H,27,30)
InChIKeyOTIICYQXZNWXLQ-UHFFFAOYSA-N
MW437.70 g/mol
LogP6.08
Rot. Bonds5

About 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide

1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide (PubChem CID 155618833) has the molecular formula C26H39N3OSi and a molecular weight of 437.70 g/mol. Its IUPAC name is 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide
PubChem CID155618833
Molecular FormulaC26H39N3OSi
Molecular Weight437.70 g/mol
Exact Mass437.29
IUPAC Name1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide
SMILESCC(C)[Si](C#CC1CCCC(NC(=O)c2nn(C)c3ccccc23)C1)(C(C)C)C(C)C
InChIInChI=1S/C26H39N3OSi/c1-18(2)31(19(3)4,20(5)6)16-15-21-11-10-12-22(17-21)27-26(30)25-23-13-8-9-14-24(23)29(7)28-25/h8-9,13-14,18-22H,10-12,17H2,1-7H3,(H,27,30)
InChIKeyOTIICYQXZNWXLQ-UHFFFAOYSA-N
XLogP6.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255
N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide
CID 155618819
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 67274324
(Z)-but-2-enedioic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 53251841
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898
1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide
CID 163714881

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide (CID 155618833) is 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide is CC(C)[Si](C#CC1CCCC(NC(=O)c2nn(C)c3ccccc23)C1)(C(C)C)C(C)C.
What is the InChIKey of 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide?
The InChIKey is OTIICYQXZNWXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3OSi/c1-18(2)31(19(3)4,20(5)6)16-15-21-11-10-12-22(17-21)27-26(30)25-23-13-8-9-14-24(23)29(7)28-25/h8-9,13-14,18-22H,10-12,17H2,1-7H3,(H,27,30).
What are the key properties of 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide?
1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide has a molecular weight of 437.70 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]indazole-3-carboxamide is sourced from PubChem (CID 155618833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).