N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H25FN6O2 — CID 146597733

About N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 146597733) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• PubChem CID: 146597733
• Molecular Formula: C23H25FN6O2
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.20
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
• SMILES: COc1ccc(CNc2nc3c(F)cccc3c3nc(C4CCCNC4)nn23)c(OC)c1
• InChI: InChI=1S/C23H25FN6O2/c1-31-16-9-8-14(19(11-16)32-2)13-26-23-27-20-17(6-3-7-18(20)24)22-28-21(29-30(22)23)15-5-4-10-25-12-15/h3,6-9,11,15,25H,4-5,10,12-13H2,1-2H3,(H,26,27)
• InChIKey: LEIQDTSODBIXKF-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 146597733) is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1ccc(CNc2nc3c(F)cccc3c3nc(C4CCCNC4)nn23)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

The InChIKey is LEIQDTSODBIXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-31-16-9-8-14(19(11-16)32-2)13-26-23-27-20-17(6-3-7-18(20)24)22-28-21(29-30(22)23)15-5-4-10-25-12-15/h3,6-9,11,15,25H,4-5,10,12-13H2,1-2H3,(H,26,27).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?

N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 436.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 146597733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).