1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea

C29H32N6OSi — CID 11306763

IUPAC1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea
SMILESCc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc3[nH]cc(CCc4ccncc4)c3c2)cc1
InChIInChI=1S/C29H32N6OSi/c1-20-5-10-24(11-6-20)35-27(18-28(34-35)37(2,3)4)33-29(36)32-23-9-12-26-25(17-23)22(19-31-26)8-7-21-13-15-30-16-14-21/h5-6,9-19,31H,7-8H2,1-4H3,(H2,32,33,36)
InChIKeyOUIBXCNKJADUIZ-UHFFFAOYSA-N
MW508.70 g/mol
LogP6.03
Rot. Bonds7

About 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea

1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea (PubChem CID 11306763) has the molecular formula C29H32N6OSi and a molecular weight of 508.70 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea
PubChem CID11306763
Molecular FormulaC29H32N6OSi
Molecular Weight508.70 g/mol
Exact Mass508.24
IUPAC Name1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea
SMILESCc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc3[nH]cc(CCc4ccncc4)c3c2)cc1
InChIInChI=1S/C29H32N6OSi/c1-20-5-10-24(11-6-20)35-27(18-28(34-35)37(2,3)4)33-29(36)32-23-9-12-26-25(17-23)22(19-31-26)8-7-21-13-15-30-16-14-21/h5-6,9-19,31H,7-8H2,1-4H3,(H2,32,33,36)
InChIKeyOUIBXCNKJADUIZ-UHFFFAOYSA-N
XLogP6.03
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.70
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
CID 11153624
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(1H-indol-3-yl)phenyl]urea
CID 141145760
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]methyl]phenyl]urea
CID 68822671
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[2-(1H-indol-3-yl)ethyl]-4-oxoquinazolin-6-yl]thiourea
CID 176910405
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]methyl]phenyl]urea
CID 68823641
1-(3,4-difluorophenyl)-3-(5-methyl-2-pyridin-4-ylpyrazol-3-yl)urea
CID 71812408
3-(5-methyl-1H-indol-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]propanamide
CID 155968063
1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
CID 90002041
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 11180295
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-pyridin-3-ylphenyl)urea
CID 71695585
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea?
The IUPAC name of 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea (CID 11306763) is 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea.
What is the SMILES notation for 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea?
The canonical SMILES for 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea is Cc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc3[nH]cc(CCc4ccncc4)c3c2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea?
The InChIKey is OUIBXCNKJADUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6OSi/c1-20-5-10-24(11-6-20)35-27(18-28(34-35)37(2,3)4)33-29(36)32-23-9-12-26-25(17-23)22(19-31-26)8-7-21-13-15-30-16-14-21/h5-6,9-19,31H,7-8H2,1-4H3,(H2,32,33,36).
What are the key properties of 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea?
1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea has a molecular weight of 508.70 g/mol, XLogP of 6.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]-3-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]urea is sourced from PubChem (CID 11306763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).