CID 168876123

C43H38F2N5O6Si — CID 168876123

IUPAC—
SMILESCc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccnc(C(=O)ON3CC(O[Si](c4ccccc4)c4ccc(C(C)(C)C)cc4)C3)c2)c(F)c1
InChIInChI=1S/C43H38F2N5O6Si/c1-27-22-39(51)50(31-15-12-29(44)13-16-31)48-40(27)41(52)47-30-14-19-38(36(45)23-30)54-32-20-21-46-37(24-32)42(53)55-49-25-33(26-49)56-57(34-8-6-5-7-9-34)35-17-10-28(11-18-35)43(2,3)4/h5-24,33H,25-26H2,1-4H3,(H,47,52)
InChIKeyPXLIEJSECXSQJY-UHFFFAOYSA-N
MW786.89 g/mol
LogP6.13
Rot. Bonds11

About CID 168876123

CID 168876123 (PubChem CID 168876123) has the molecular formula C43H38F2N5O6Si and a molecular weight of 786.89 g/mol.

Molecular Properties

Compound NameCID 168876123
PubChem CID168876123
Molecular FormulaC43H38F2N5O6Si
Molecular Weight786.89 g/mol
Exact Mass786.26
IUPAC Name—
SMILESCc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccnc(C(=O)ON3CC(O[Si](c4ccccc4)c4ccc(C(C)(C)C)cc4)C3)c2)c(F)c1
InChIInChI=1S/C43H38F2N5O6Si/c1-27-22-39(51)50(31-15-12-29(44)13-16-31)48-40(27)41(52)47-30-14-19-38(36(45)23-30)54-32-20-21-46-37(24-32)42(53)55-49-25-33(26-49)56-57(34-8-6-5-7-9-34)35-17-10-28(11-18-35)43(2,3)4/h5-24,33H,25-26H2,1-4H3,(H,47,52)
InChIKeyPXLIEJSECXSQJY-UHFFFAOYSA-N
XLogP6.13
TPSA124.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.89
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162664657
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162670779
N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 151008273
1-(4-chloro-3-fluorophenyl)-N-[3-fluoro-4-[[2-[(3-hydroxyazetidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 175430328
1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481088
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481094
N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481090
4-methyl-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 150004213
N-(4-chlorophenyl)-1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 171780286
2-(3-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 162660316
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556881
N-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177442

Frequently Asked Questions

What is the IUPAC name of CID 168876123?
The IUPAC name of CID 168876123 (CID 168876123) is not available.
What is the SMILES notation for CID 168876123?
The canonical SMILES for CID 168876123 is Cc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccnc(C(=O)ON3CC(O[Si](c4ccccc4)c4ccc(C(C)(C)C)cc4)C3)c2)c(F)c1.
What is the InChIKey of CID 168876123?
The InChIKey is PXLIEJSECXSQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38F2N5O6Si/c1-27-22-39(51)50(31-15-12-29(44)13-16-31)48-40(27)41(52)47-30-14-19-38(36(45)23-30)54-32-20-21-46-37(24-32)42(53)55-49-25-33(26-49)56-57(34-8-6-5-7-9-34)35-17-10-28(11-18-35)43(2,3)4/h5-24,33H,25-26H2,1-4H3,(H,47,52).
What are the key properties of CID 168876123?
CID 168876123 has a molecular weight of 786.89 g/mol, XLogP of 6.13, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168876123 is sourced from PubChem (CID 168876123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).