[4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone

C25H33F2N5O4 — CID 162545005

About [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone

[4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone (PubChem CID 162545005) has the molecular formula C25H33F2N5O4 and a molecular weight of 505.57 g/mol. Its IUPAC name is [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone.

Molecular Properties

• Compound Name: [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone
• PubChem CID: 162545005
• Molecular Formula: C25H33F2N5O4
• Molecular Weight: 505.57 g/mol
• Exact Mass: 505.25
• IUPAC Name: [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone
• SMILES: COCC(F)(F)CN1CCN(C(=O)c2cc3c(cc2C)NC(O)c2cnn(C4CCOCC4)c2-3)CC1
• InChI: InChI=1S/C25H33F2N5O4/c1-16-11-21-19(22-20(23(33)29-21)13-28-32(22)17-3-9-36-10-4-17)12-18(16)24(34)31-7-5-30(6-8-31)14-25(26,27)15-35-2/h11-13,17,23,29,33H,3-10,14-15H2,1-2H3
• InChIKey: WZQRAMBUJSAJFJ-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 92.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.57
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone?

The IUPAC name of [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone (CID 162545005) is [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone.

What is the SMILES notation for [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone?

The canonical SMILES for [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone is COCC(F)(F)CN1CCN(C(=O)c2cc3c(cc2C)NC(O)c2cnn(C4CCOCC4)c2-3)CC1.

What is the InChIKey of [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone?

The InChIKey is WZQRAMBUJSAJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N5O4/c1-16-11-21-19(22-20(23(33)29-21)13-28-32(22)17-3-9-36-10-4-17)12-18(16)24(34)31-7-5-30(6-8-31)14-25(26,27)15-35-2/h11-13,17,23,29,33H,3-10,14-15H2,1-2H3.

What are the key properties of [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone?

[4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone has a molecular weight of 505.57 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,2-difluoro-3-methoxypropyl)piperazin-1-yl]-[4-hydroxy-7-methyl-1-(oxan-4-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-8-yl]methanone is sourced from PubChem (CID 162545005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).