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

C23H30ClFN4O3Si — CID 156678359

IUPAC1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C23H30ClFN4O3Si/c1-13(2)17-18(14(8-10-26-17)9-11-32-33(6,7)23(3,4)5)29-20-15(21(30)28-22(29)31)12-16(25)19(24)27-20/h8,10,12-13H,9,11H2,1-7H3,(H,28,30,31)
InChIKeyDBLBSMUNUVALRZ-UHFFFAOYSA-N
MW493.06 g/mol
LogP4.95
Rot. Bonds6

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

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 156678359) has the molecular formula C23H30ClFN4O3Si and a molecular weight of 493.06 g/mol. Its IUPAC name is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-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]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID156678359
Molecular FormulaC23H30ClFN4O3Si
Molecular Weight493.06 g/mol
Exact Mass492.18
IUPAC Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1nccc(CCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C23H30ClFN4O3Si/c1-13(2)17-18(14(8-10-26-17)9-11-32-33(6,7)23(3,4)5)29-20-15(21(30)28-22(29)31)12-16(25)19(24)27-20/h8,10,12-13H,9,11H2,1-7H3,(H,28,30,31)
InChIKeyDBLBSMUNUVALRZ-UHFFFAOYSA-N
XLogP4.95
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.06
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-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]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 156678359) is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-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]oxyethyl]-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]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1nccc(CCO[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]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DBLBSMUNUVALRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClFN4O3Si/c1-13(2)17-18(14(8-10-26-17)9-11-32-33(6,7)23(3,4)5)29-20-15(21(30)28-22(29)31)12-16(25)19(24)27-20/h8,10,12-13H,9,11H2,1-7H3,(H,28,30,31).
What are the key properties of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 493.06 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 156678359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).