7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione

C38H36F2N4O3Si — CID 156747762

IUPAC7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc21
InChIInChI=1S/C38H36F2N4O3Si/c1-23(2)32-34(24(3)20-21-41-32)44-35-27(36(45)43-37(44)46)22-29(40)33(42-35)31-28(39)18-13-19-30(31)47-48(38(4,5)6,25-14-9-7-10-15-25)26-16-11-8-12-17-26/h7-23H,1-6H3,(H,43,45,46)
InChIKeyIQVRPLOMGHEXKT-UHFFFAOYSA-N
MW662.81 g/mol
LogP6.78
Rot. Bonds7

About 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 156747762) has the molecular formula C38H36F2N4O3Si and a molecular weight of 662.81 g/mol. Its IUPAC name is 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID156747762
Molecular FormulaC38H36F2N4O3Si
Molecular Weight662.81 g/mol
Exact Mass662.25
IUPAC Name7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc21
InChIInChI=1S/C38H36F2N4O3Si/c1-23(2)32-34(24(3)20-21-41-32)44-35-27(36(45)43-37(44)46)22-29(40)33(42-35)31-28(39)18-13-19-30(31)47-48(38(4,5)6,25-14-9-7-10-15-25)26-16-11-8-12-17-26/h7-23H,1-6H3,(H,43,45,46)
InChIKeyIQVRPLOMGHEXKT-UHFFFAOYSA-N
XLogP6.78
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.81
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 156747762) is 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(-c3c(F)cccc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc21.
What is the InChIKey of 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IQVRPLOMGHEXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36F2N4O3Si/c1-23(2)32-34(24(3)20-21-41-32)44-35-27(36(45)43-37(44)46)22-29(40)33(42-35)31-28(39)18-13-19-30(31)47-48(38(4,5)6,25-14-9-7-10-15-25)26-16-11-8-12-17-26/h7-23H,1-6H3,(H,43,45,46).
What are the key properties of 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 662.81 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[tert-butyl(diphenyl)silyl]oxy-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 156747762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).