2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C24H23FN4O — CID 3230144

About 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 3230144) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

• Compound Name: 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
• PubChem CID: 3230144
• Molecular Formula: C24H23FN4O
• Molecular Weight: 402.47 g/mol
• Exact Mass: 402.19
• IUPAC Name: 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
• SMILES: COc1ccccc1CNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2
• InChI: InChI=1S/C24H23FN4O/c1-30-22-12-5-2-7-17(22)15-26-24-19-10-3-4-11-20(19)27-23-14-21(28-29(23)24)16-8-6-9-18(25)13-16/h2,5-9,12-14,26H,3-4,10-11,15H2,1H3
• InChIKey: RXUZNTPIEMVDAJ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 51.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.47
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?

The IUPAC name of 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 3230144) is 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

What is the SMILES notation for 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?

The canonical SMILES for 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is COc1ccccc1CNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2.

What is the InChIKey of 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?

The InChIKey is RXUZNTPIEMVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-30-22-12-5-2-7-17(22)15-26-24-19-10-3-4-11-20(19)27-23-14-21(28-29(23)24)16-8-6-9-18(25)13-16/h2,5-9,12-14,26H,3-4,10-11,15H2,1H3.

What are the key properties of 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?

2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 402.47 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 3230144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).