CID 142977965

C29H39N5O3Si- — CID 142977965

IUPAC—
SMILESCc1ccc(-n2nc([Si-]3(C)CCCCC3)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C29H39N5O3Si/c1-23-6-10-25(11-7-23)34-27(22-28(32-34)38(2)20-4-3-5-21-38)31-29(35)30-24-8-12-26(13-9-24)37-19-16-33-14-17-36-18-15-33/h6-13,22H,3-5,14-21H2,1-2H3,(H2,30,31,35)/q-1
InChIKeyXQLCTGPTNIRWIA-UHFFFAOYSA-N
MW533.75 g/mol
LogP5.01
Rot. Bonds8

About CID 142977965

CID 142977965 (PubChem CID 142977965) has the molecular formula C29H39N5O3Si- and a molecular weight of 533.75 g/mol.

Molecular Properties

Compound NameCID 142977965
PubChem CID142977965
Molecular FormulaC29H39N5O3Si-
Molecular Weight533.75 g/mol
Exact Mass533.28
IUPAC Name—
SMILESCc1ccc(-n2nc([Si-]3(C)CCCCC3)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C29H39N5O3Si/c1-23-6-10-25(11-7-23)34-27(22-28(32-34)38(2)20-4-3-5-21-38)31-29(35)30-24-8-12-26(13-9-24)37-19-16-33-14-17-36-18-15-33/h6-13,22H,3-5,14-21H2,1-2H3,(H2,30,31,35)/q-1
InChIKeyXQLCTGPTNIRWIA-UHFFFAOYSA-N
XLogP5.01
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.75
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-methylphenyl)-3-(1-methylsilinan-1-yl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
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1-[3-tert-butyl-1-[4-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;ethane
CID 143176923
1-[3-tert-butyl-1-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706834
1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-4-carboxamide
CID 167930461
1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11180295
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
CID 11153624
N-[4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenyl]acetamide
CID 11731461
1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059
1-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[4-[6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]oxyphenyl]urea
CID 11505249
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
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Frequently Asked Questions

What is the IUPAC name of CID 142977965?
The IUPAC name of CID 142977965 (CID 142977965) is not available.
What is the SMILES notation for CID 142977965?
The canonical SMILES for CID 142977965 is Cc1ccc(-n2nc([Si-]3(C)CCCCC3)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1.
What is the InChIKey of CID 142977965?
The InChIKey is XQLCTGPTNIRWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O3Si/c1-23-6-10-25(11-7-23)34-27(22-28(32-34)38(2)20-4-3-5-21-38)31-29(35)30-24-8-12-26(13-9-24)37-19-16-33-14-17-36-18-15-33/h6-13,22H,3-5,14-21H2,1-2H3,(H2,30,31,35)/q-1.
What are the key properties of CID 142977965?
CID 142977965 has a molecular weight of 533.75 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142977965 is sourced from PubChem (CID 142977965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).