CID 66851155

C33H38FN4OSi — CID 66851155

IUPAC—
SMILESC[Si](C)c1c(C(=O)Nc2ccc(N3CCCC3)nc2)n(Cc2cccc(F)c2)c2ccc(C3CCCCC3)cc12
InChIInChI=1S/C33H38FN4OSi/c1-40(2)32-28-20-25(24-10-4-3-5-11-24)13-15-29(28)38(22-23-9-8-12-26(34)19-23)31(32)33(39)36-27-14-16-30(35-21-27)37-17-6-7-18-37/h8-9,12-16,19-21,24H,3-7,10-11,17-18,22H2,1-2H3,(H,36,39)
InChIKeyVSYSRQVQXZODFK-UHFFFAOYSA-N
MW553.78 g/mol
LogP7.09
Rot. Bonds7

About CID 66851155

CID 66851155 (PubChem CID 66851155) has the molecular formula C33H38FN4OSi and a molecular weight of 553.78 g/mol.

Molecular Properties

Compound NameCID 66851155
PubChem CID66851155
Molecular FormulaC33H38FN4OSi
Molecular Weight553.78 g/mol
Exact Mass553.28
IUPAC Name—
SMILESC[Si](C)c1c(C(=O)Nc2ccc(N3CCCC3)nc2)n(Cc2cccc(F)c2)c2ccc(C3CCCCC3)cc12
InChIInChI=1S/C33H38FN4OSi/c1-40(2)32-28-20-25(24-10-4-3-5-11-24)13-15-29(28)38(22-23-9-8-12-26(34)19-23)31(32)33(39)36-27-14-16-30(35-21-27)37-17-6-7-18-37/h8-9,12-16,19-21,24H,3-7,10-11,17-18,22H2,1-2H3,(H,36,39)
InChIKeyVSYSRQVQXZODFK-UHFFFAOYSA-N
XLogP7.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.78
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(azetidin-1-yl)-3-pyridinyl]-6-ethyl-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431512
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[ethyl(dimethyl)silyl]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 66850271
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524
N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431491
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94991579
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 57431495
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)indole-2-carboxamide
CID 57431501
N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66908003
(2S)-N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 92987363

Frequently Asked Questions

What is the IUPAC name of CID 66851155?
The IUPAC name of CID 66851155 (CID 66851155) is not available.
What is the SMILES notation for CID 66851155?
The canonical SMILES for CID 66851155 is C[Si](C)c1c(C(=O)Nc2ccc(N3CCCC3)nc2)n(Cc2cccc(F)c2)c2ccc(C3CCCCC3)cc12.
What is the InChIKey of CID 66851155?
The InChIKey is VSYSRQVQXZODFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN4OSi/c1-40(2)32-28-20-25(24-10-4-3-5-11-24)13-15-29(28)38(22-23-9-8-12-26(34)19-23)31(32)33(39)36-27-14-16-30(35-21-27)37-17-6-7-18-37/h8-9,12-16,19-21,24H,3-7,10-11,17-18,22H2,1-2H3,(H,36,39).
What are the key properties of CID 66851155?
CID 66851155 has a molecular weight of 553.78 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66851155 is sourced from PubChem (CID 66851155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).