CID 163253504

C34H35ClN7OSi — CID 163253504

IUPAC—
SMILESCC(CO[Si](c1ccccc1)c1ccc(C(C)(C)C)cc1)Nc1nc2cc(-c3ccc(Cl)cc3)nc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C34H35ClN7OSi/c1-23(22-43-44(28-9-7-6-8-10-28)29-17-13-26(14-18-29)34(2,3)4)37-33-39-31-19-30(24-11-15-27(35)16-12-24)38-32(42(31)40-33)25-20-36-41(5)21-25/h6-21,23H,22H2,1-5H3,(H,37,40)
InChIKeyIWSJPVSIKXUKOS-UHFFFAOYSA-N
MW621.24 g/mol
LogP5.77
Rot. Bonds9

About CID 163253504

CID 163253504 (PubChem CID 163253504) has the molecular formula C34H35ClN7OSi and a molecular weight of 621.24 g/mol.

Molecular Properties

Compound NameCID 163253504
PubChem CID163253504
Molecular FormulaC34H35ClN7OSi
Molecular Weight621.24 g/mol
Exact Mass620.24
IUPAC Name—
SMILESCC(CO[Si](c1ccccc1)c1ccc(C(C)(C)C)cc1)Nc1nc2cc(-c3ccc(Cl)cc3)nc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C34H35ClN7OSi/c1-23(22-43-44(28-9-7-6-8-10-28)29-17-13-26(14-18-29)34(2,3)4)37-33-39-31-19-30(24-11-15-27(35)16-12-24)38-32(42(31)40-33)25-20-36-41(5)21-25/h6-21,23H,22H2,1-5H3,(H,37,40)
InChIKeyIWSJPVSIKXUKOS-UHFFFAOYSA-N
XLogP5.77
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.24
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
CID 163253503
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 163253523
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 165389665
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
6-(4-chlorophenyl)-N-[1-(hydroxymethyl)-4-methylpiperidin-4-yl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 175427753
6-(4-chlorophenyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 175427756
1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091183
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 4317216
2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 70977543
6-(2,5-dichlorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711400

Frequently Asked Questions

What is the IUPAC name of CID 163253504?
The IUPAC name of CID 163253504 (CID 163253504) is not available.
What is the SMILES notation for CID 163253504?
The canonical SMILES for CID 163253504 is CC(CO[Si](c1ccccc1)c1ccc(C(C)(C)C)cc1)Nc1nc2cc(-c3ccc(Cl)cc3)nc(-c3cnn(C)c3)n2n1.
What is the InChIKey of CID 163253504?
The InChIKey is IWSJPVSIKXUKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN7OSi/c1-23(22-43-44(28-9-7-6-8-10-28)29-17-13-26(14-18-29)34(2,3)4)37-33-39-31-19-30(24-11-15-27(35)16-12-24)38-32(42(31)40-33)25-20-36-41(5)21-25/h6-21,23H,22H2,1-5H3,(H,37,40).
What are the key properties of CID 163253504?
CID 163253504 has a molecular weight of 621.24 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163253504 is sourced from PubChem (CID 163253504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).