4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine

C24H20FN7O — CID 24958560

IUPAC4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C24H20FN7O/c1-2-33-23-22-21(12-11-20(29-22)17-5-7-18(25)8-6-17)30-24(31-23)27-13-16-3-9-19(10-4-16)32-15-26-14-28-32/h3-12,14-15H,2,13H2,1H3,(H,27,30,31)
InChIKeyZAQKWNVBOWBBEY-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.42
Rot. Bonds7

About 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine

4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 24958560) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID24958560
Molecular FormulaC24H20FN7O
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC Name4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C24H20FN7O/c1-2-33-23-22-21(12-11-20(29-22)17-5-7-18(25)8-6-17)30-24(31-23)27-13-16-3-9-19(10-4-16)32-15-26-14-28-32/h3-12,14-15H,2,13H2,1H3,(H,27,30,31)
InChIKeyZAQKWNVBOWBBEY-UHFFFAOYSA-N
XLogP4.42
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine (CID 24958560) is 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine is CCOc1nc(NCc2ccc(-n3cncn3)cc2)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is ZAQKWNVBOWBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O/c1-2-33-23-22-21(12-11-20(29-22)17-5-7-18(25)8-6-17)30-24(31-23)27-13-16-3-9-19(10-4-16)32-15-26-14-28-32/h3-12,14-15H,2,13H2,1H3,(H,27,30,31).
What are the key properties of 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine?
4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 441.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-fluorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24958560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).