N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C27H39F4N5O2Si — CID 131733486

IUPACN-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)Nc1ncc2c(n1)CN(C(=O)NC(CCO[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)c(F)c1)CC2
InChIInChI=1S/C27H39F4N5O2Si/c1-17(2)33-24-32-15-19-10-12-36(16-23(19)34-24)25(37)35-22(11-13-38-39(6,7)26(3,4)5)18-8-9-20(21(28)14-18)27(29,30)31/h8-9,14-15,17,22H,10-13,16H2,1-7H3,(H,35,37)(H,32,33,34)
InChIKeyWSASMFKDBRCDEV-UHFFFAOYSA-N
MW569.72 g/mol
LogP6.68
Rot. Bonds8

About N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 131733486) has the molecular formula C27H39F4N5O2Si and a molecular weight of 569.72 g/mol. Its IUPAC name is N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID131733486
Molecular FormulaC27H39F4N5O2Si
Molecular Weight569.72 g/mol
Exact Mass569.28
IUPAC NameN-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)Nc1ncc2c(n1)CN(C(=O)NC(CCO[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)c(F)c1)CC2
InChIInChI=1S/C27H39F4N5O2Si/c1-17(2)33-24-32-15-19-10-12-36(16-23(19)34-24)25(37)35-22(11-13-38-39(6,7)26(3,4)5)18-8-9-20(21(28)14-18)27(29,30)31/h8-9,14-15,17,22H,10-13,16H2,1-7H3,(H,35,37)(H,32,33,34)
InChIKeyWSASMFKDBRCDEV-UHFFFAOYSA-N
XLogP6.68
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.72
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide 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 N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 131733486) is N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC(C)Nc1ncc2c(n1)CN(C(=O)NC(CCO[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)c(F)c1)CC2.
What is the InChIKey of N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is WSASMFKDBRCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39F4N5O2Si/c1-17(2)33-24-32-15-19-10-12-36(16-23(19)34-24)25(37)35-22(11-13-38-39(6,7)26(3,4)5)18-8-9-20(21(28)14-18)27(29,30)31/h8-9,14-15,17,22H,10-13,16H2,1-7H3,(H,35,37)(H,32,33,34).
What are the key properties of N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 569.72 g/mol, XLogP of 6.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 131733486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).