3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine

C30H32FN7O3 — CID 168946417

About 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine

3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine (PubChem CID 168946417) has the molecular formula C30H32FN7O3 and a molecular weight of 557.63 g/mol. Its IUPAC name is 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine
• PubChem CID: 168946417
• Molecular Formula: C30H32FN7O3
• Molecular Weight: 557.63 g/mol
• Exact Mass: 557.26
• IUPAC Name: 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine
• SMILES: COCC(Oc1cc(-c2nn(C)c3c(-c4cnn(C5CCOCC5)c4)cnc(N)c23)ccc1N)c1ccc(F)cc1
• InChI: InChI=1S/C30H32FN7O3/c1-37-29-23(20-14-35-38(16-20)22-9-11-40-12-10-22)15-34-30(33)27(29)28(36-37)19-5-8-24(32)25(13-19)41-26(17-39-2)18-3-6-21(31)7-4-18/h3-8,13-16,22,26H,9-12,17,32H2,1-2H3,(H2,33,34)
• InChIKey: QWCNXXCXFJMJHL-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 128.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.63
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine?

The IUPAC name of 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine (CID 168946417) is 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine.

What is the SMILES notation for 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine?

The canonical SMILES for 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine is COCC(Oc1cc(-c2nn(C)c3c(-c4cnn(C5CCOCC5)c4)cnc(N)c23)ccc1N)c1ccc(F)cc1.

What is the InChIKey of 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine?

The InChIKey is QWCNXXCXFJMJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O3/c1-37-29-23(20-14-35-38(16-20)22-9-11-40-12-10-22)15-34-30(33)27(29)28(36-37)19-5-8-24(32)25(13-19)41-26(17-39-2)18-3-6-21(31)7-4-18/h3-8,13-16,22,26H,9-12,17,32H2,1-2H3,(H2,33,34).

What are the key properties of 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine?

3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 557.63 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-amino-3-[1-(4-fluorophenyl)-2-methoxyethoxy]phenyl]-1-methyl-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 168946417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).