benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione

C50H50F3N9O8 — CID 159433077

About benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione

benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 159433077) has the molecular formula C50H50F3N9O8 and a molecular weight of 962.00 g/mol. Its IUPAC name is benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159433077
• Molecular Formula: C50H50F3N9O8
• Molecular Weight: 962.00 g/mol
• Exact Mass: 961.37
• IUPAC Name: benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: CCCCn1c(=O)c2c(C(O)c3ccc(C(F)(F)F)nc3)c(Oc3cncc(C)c3)cnc2n(C)c1=O.CCCCn1c(=O)c2cc(Oc3cncc(C)c3)cnc2n(C)c1=O.O=Cc1ccccc1
• InChI: InChI=1S/C25H24F3N5O4.C18H20N4O3.C7H6O/c1-4-5-8-33-23(35)20-19(21(34)15-6-7-18(30-11-15)25(26,27)28)17(13-31-22(20)32(3)24(33)36)37-16-9-14(2)10-29-12-16;1-4-5-6-22-17(23)15-8-14(11-20-16(15)21(3)18(22)24)25-13-7-12(2)9-19-10-13;8-6-7-4-2-1-3-5-7/h6-7,9-13,21,34H,4-5,8H2,1-3H3;7-11H,4-6H2,1-3H3;1-6H
• InChIKey: LRFPKBYXDGDWIO-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 208.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	962.00
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione (CID 159433077) is benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)c2c(C(O)c3ccc(C(F)(F)F)nc3)c(Oc3cncc(C)c3)cnc2n(C)c1=O.CCCCn1c(=O)c2cc(Oc3cncc(C)c3)cnc2n(C)c1=O.O=Cc1ccccc1.

What is the InChIKey of benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is LRFPKBYXDGDWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O4.C18H20N4O3.C7H6O/c1-4-5-8-33-23(35)20-19(21(34)15-6-7-18(30-11-15)25(26,27)28)17(13-31-22(20)32(3)24(33)36)37-16-9-14(2)10-29-12-16;1-4-5-6-22-17(23)15-8-14(11-20-16(15)21(3)18(22)24)25-13-7-12(2)9-19-10-13;8-6-7-4-2-1-3-5-7/h6-7,9-13,21,34H,4-5,8H2,1-3H3;7-11H,4-6H2,1-3H3;1-6H.

What are the key properties of benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione?

benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 962.00 g/mol, XLogP of 7.78, 13 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for benzaldehyde;3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-butyl-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159433077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).