N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide

C32H38BrN7O3Si — CID 131741405

IUPACN-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(C(=O)Nc2cnn(Cc3cccc(Br)c3)c2)c2ccc(-c3cnn(C4CCCCO4)c3)cc21
InChIInChI=1S/C32H38BrN7O3Si/c1-44(2,3)14-13-42-22-40-29-16-24(25-17-35-39(20-25)30-9-4-5-12-43-30)10-11-28(29)31(37-40)32(41)36-27-18-34-38(21-27)19-23-7-6-8-26(33)15-23/h6-8,10-11,15-18,20-21,30H,4-5,9,12-14,19,22H2,1-3H3,(H,36,41)
InChIKeyXWVVEOATCMJTAJ-UHFFFAOYSA-N
MW676.69 g/mol
LogP7.17
Rot. Bonds11

About N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide

N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide (PubChem CID 131741405) has the molecular formula C32H38BrN7O3Si and a molecular weight of 676.69 g/mol. Its IUPAC name is N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
PubChem CID131741405
Molecular FormulaC32H38BrN7O3Si
Molecular Weight676.69 g/mol
Exact Mass675.20
IUPAC NameN-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(C(=O)Nc2cnn(Cc3cccc(Br)c3)c2)c2ccc(-c3cnn(C4CCCCO4)c3)cc21
InChIInChI=1S/C32H38BrN7O3Si/c1-44(2,3)14-13-42-22-40-29-16-24(25-17-35-39(20-25)30-9-4-5-12-43-30)10-11-28(29)31(37-40)32(41)36-27-18-34-38(21-27)19-23-7-6-8-26(33)15-23/h6-8,10-11,15-18,20-21,30H,4-5,9,12-14,19,22H2,1-3H3,(H,36,41)
InChIKeyXWVVEOATCMJTAJ-UHFFFAOYSA-N
XLogP7.17
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.69
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone
CID 158986126
6-bromo-N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
CID 71259799
methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate
CID 166385160
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266265
5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,5,6,6a-tetrahydrocyclopropa[g]indazole-3-carboxylic acid;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5a-methyl-4,5,6,6a-tetrahydro-1H-cyclopropa[g]indazole-3-carboxamide
CID 159679837
3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 159710960
1-(3-bromophenyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethane-1,2-dione
CID 59772725
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane
CID 170550471
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268317
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340555
3-[3-[1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indazol-5-yl]oxybutoxy]propan-1-ol
CID 174172938

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide (CID 131741405) is N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide is C[Si](C)(C)CCOCn1nc(C(=O)Nc2cnn(Cc3cccc(Br)c3)c2)c2ccc(-c3cnn(C4CCCCO4)c3)cc21.
What is the InChIKey of N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The InChIKey is XWVVEOATCMJTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38BrN7O3Si/c1-44(2,3)14-13-42-22-40-29-16-24(25-17-35-39(20-25)30-9-4-5-12-43-30)10-11-28(29)31(37-40)32(41)36-27-18-34-38(21-27)19-23-7-6-8-26(33)15-23/h6-8,10-11,15-18,20-21,30H,4-5,9,12-14,19,22H2,1-3H3,(H,36,41).
What are the key properties of N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide has a molecular weight of 676.69 g/mol, XLogP of 7.17, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide is sourced from PubChem (CID 131741405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).