1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

C23H29Cl2FN4O4Si — CID 156678372

IUPAC1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ncc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C23H29Cl2FN4O4Si/c1-12(2)16-17(30-20-13(21(31)29-22(30)32)10-15(26)19(25)28-20)18(14(24)11-27-16)33-8-9-34-35(6,7)23(3,4)5/h10-12H,8-9H2,1-7H3,(H,29,31,32)
InChIKeyLWDRNQWYTWEYJT-UHFFFAOYSA-N
MW543.50 g/mol
LogP5.44
Rot. Bonds7

About 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 156678372) has the molecular formula C23H29Cl2FN4O4Si and a molecular weight of 543.50 g/mol. Its IUPAC name is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID156678372
Molecular FormulaC23H29Cl2FN4O4Si
Molecular Weight543.50 g/mol
Exact Mass542.13
IUPAC Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1ncc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C23H29Cl2FN4O4Si/c1-12(2)16-17(30-20-13(21(31)29-22(30)32)10-15(26)19(25)28-20)18(14(24)11-27-16)33-8-9-34-35(6,7)23(3,4)5/h10-12H,8-9H2,1-7H3,(H,29,31,32)
InChIKeyLWDRNQWYTWEYJT-UHFFFAOYSA-N
XLogP5.44
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 156678372) is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1ncc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LWDRNQWYTWEYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2FN4O4Si/c1-12(2)16-17(30-20-13(21(31)29-22(30)32)10-15(26)19(25)28-20)18(14(24)11-27-16)33-8-9-34-35(6,7)23(3,4)5/h10-12H,8-9H2,1-7H3,(H,29,31,32).
What are the key properties of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 543.50 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 156678372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).