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

C24H32ClFN4O3Si — CID 156678308

IUPAC1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1nccc(CCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C24H32ClFN4O3Si/c1-14(2)18-19(15(10-11-27-18)9-8-12-33-34(6,7)24(3,4)5)30-21-16(22(31)29-23(30)32)13-17(26)20(25)28-21/h10-11,13-14H,8-9,12H2,1-7H3,(H,29,31,32)
InChIKeyYRVYPTKRBBFZRV-UHFFFAOYSA-N
MW507.08 g/mol
LogP5.34
Rot. Bonds7

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

1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 156678308) has the molecular formula C24H32ClFN4O3Si and a molecular weight of 507.08 g/mol. Its IUPAC name is 1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID156678308
Molecular FormulaC24H32ClFN4O3Si
Molecular Weight507.08 g/mol
Exact Mass506.19
IUPAC Name1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1nccc(CCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C24H32ClFN4O3Si/c1-14(2)18-19(15(10-11-27-18)9-8-12-33-34(6,7)24(3,4)5)30-21-16(22(31)29-23(30)32)13-17(26)20(25)28-21/h10-11,13-14H,8-9,12H2,1-7H3,(H,29,31,32)
InChIKeyYRVYPTKRBBFZRV-UHFFFAOYSA-N
XLogP5.34
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 156678308) is 1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-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-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1nccc(CCCO[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-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YRVYPTKRBBFZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClFN4O3Si/c1-14(2)18-19(15(10-11-27-18)9-8-12-33-34(6,7)24(3,4)5)30-21-16(22(31)29-23(30)32)13-17(26)20(25)28-21/h10-11,13-14H,8-9,12H2,1-7H3,(H,29,31,32).
What are the key properties of 1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 507.08 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 156678308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).