4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine

C28H30FN7O — CID 177311272

About 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine

4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine (PubChem CID 177311272) has the molecular formula C28H30FN7O and a molecular weight of 499.59 g/mol. Its IUPAC name is 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine.

Molecular Properties

• Compound Name: 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine
• PubChem CID: 177311272
• Molecular Formula: C28H30FN7O
• Molecular Weight: 499.59 g/mol
• Exact Mass: 499.25
• IUPAC Name: 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine
• SMILES: NC1=C(c2ccc(F)c3[nH]ncc23)c2cc(N3CCC(N4CCOCC4)CC3)c3ncccc3c2NC1
• InChI: InChI=1S/C28H30FN7O/c29-22-4-3-18(21-15-33-34-27(21)22)25-20-14-24(28-19(2-1-7-31-28)26(20)32-16-23(25)30)36-8-5-17(6-9-36)35-10-12-37-13-11-35/h1-4,7,14-15,17,32H,5-6,8-13,16,30H2,(H,33,34)
• InChIKey: QHEUZZVEFGGYBV-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 95.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.59
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine?

The IUPAC name of 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine (CID 177311272) is 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine.

What is the SMILES notation for 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine?

The canonical SMILES for 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine is NC1=C(c2ccc(F)c3[nH]ncc23)c2cc(N3CCC(N4CCOCC4)CC3)c3ncccc3c2NC1.

What is the InChIKey of 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine?

The InChIKey is QHEUZZVEFGGYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O/c29-22-4-3-18(21-15-33-34-27(21)22)25-20-14-24(28-19(2-1-7-31-28)26(20)32-16-23(25)30)36-8-5-17(6-9-36)35-10-12-37-13-11-35/h1-4,7,14-15,17,32H,5-6,8-13,16,30H2,(H,33,34).

What are the key properties of 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine?

4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine has a molecular weight of 499.59 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-fluoro-1H-indazol-4-yl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,2-dihydro-1,7-phenanthrolin-3-amine is sourced from PubChem (CID 177311272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).