CID 149225342

C32H51N4O4Si2 — CID 149225342

IUPAC—
SMILESCC(CO)NC(=O)c1ccc2cc(-c3nn(COCC[Si](C)(C)C)c4c3CCC(C)(C)C4)n(COCC[Si](C)C)c2c1
InChIInChI=1S/C32H51N4O4Si2/c1-23(20-37)33-31(38)25-10-9-24-17-28(35(27(24)18-25)21-39-13-15-41(4)5)30-26-11-12-32(2,3)19-29(26)36(34-30)22-40-14-16-42(6,7)8/h9-10,17-18,23,37H,11-16,19-22H2,1-8H3,(H,33,38)
InChIKeyFHQSRPQUAPTZQR-UHFFFAOYSA-N
MW611.96 g/mol
LogP6.17
Rot. Bonds14

About CID 149225342

CID 149225342 (PubChem CID 149225342) has the molecular formula C32H51N4O4Si2 and a molecular weight of 611.96 g/mol.

Molecular Properties

Compound NameCID 149225342
PubChem CID149225342
Molecular FormulaC32H51N4O4Si2
Molecular Weight611.96 g/mol
Exact Mass611.34
IUPAC Name—
SMILESCC(CO)NC(=O)c1ccc2cc(-c3nn(COCC[Si](C)(C)C)c4c3CCC(C)(C)C4)n(COCC[Si](C)C)c2c1
InChIInChI=1S/C32H51N4O4Si2/c1-23(20-37)33-31(38)25-10-9-24-17-28(35(27(24)18-25)21-39-13-15-41(4)5)30-26-11-12-32(2,3)19-29(26)36(34-30)22-40-14-16-42(6,7)8/h9-10,17-18,23,37H,11-16,19-22H2,1-8H3,(H,33,38)
InChIKeyFHQSRPQUAPTZQR-UHFFFAOYSA-N
XLogP6.17
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.96
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(12,12-dimethyltridecoxymethyl)-2-[1-(12,12-dimethyltridecoxymethyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl]indole-6-carboxylic acid
CID 150614027
methyl 1-(2-dimethylsilylethoxymethyl)-2-[6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazol-3-yl]-6,7-dihydroindole-6-carboxylate
CID 163672674
N-[1-(2-hydroxy-1-phenylethyl)pyrazol-4-yl]-6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxamide
CID 131742689
(2S)-N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6,7-difluoro-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide
CID 169045244
methyl 2-[5,5-difluoro-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4a,6-dihydro-4H-cyclopropa[f]indazol-3-yl]-3H-benzimidazole-5-carboxylate
CID 171441664
2-[[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-bromoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 164532313
6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine
CID 162014645
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid
CID 90037885
6,6-dimethyl-N-[1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-amine
CID 159867358
N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide
CID 162452415
bis[1-[2-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]cyclopropyl]methanone
CID 169082859

Frequently Asked Questions

What is the IUPAC name of CID 149225342?
The IUPAC name of CID 149225342 (CID 149225342) is not available.
What is the SMILES notation for CID 149225342?
The canonical SMILES for CID 149225342 is CC(CO)NC(=O)c1ccc2cc(-c3nn(COCC[Si](C)(C)C)c4c3CCC(C)(C)C4)n(COCC[Si](C)C)c2c1.
What is the InChIKey of CID 149225342?
The InChIKey is FHQSRPQUAPTZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51N4O4Si2/c1-23(20-37)33-31(38)25-10-9-24-17-28(35(27(24)18-25)21-39-13-15-41(4)5)30-26-11-12-32(2,3)19-29(26)36(34-30)22-40-14-16-42(6,7)8/h9-10,17-18,23,37H,11-16,19-22H2,1-8H3,(H,33,38).
What are the key properties of CID 149225342?
CID 149225342 has a molecular weight of 611.96 g/mol, XLogP of 6.17, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149225342 is sourced from PubChem (CID 149225342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).