6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine

C28H23FN6O — CID 140590163

About 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine

6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine (PubChem CID 140590163) has the molecular formula C28H23FN6O and a molecular weight of 478.53 g/mol. Its IUPAC name is 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine
• PubChem CID: 140590163
• Molecular Formula: C28H23FN6O
• Molecular Weight: 478.53 g/mol
• Exact Mass: 478.19
• IUPAC Name: 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine
• SMILES: CN(Cc1ccc(-c2ccc3ncnc(N)c3c2)o1)c1ccc2c(cnn2Cc2cccc(F)c2)c1
• InChI: InChI=1S/C28H23FN6O/c1-34(16-23-7-10-27(36-23)19-5-8-25-24(13-19)28(30)32-17-31-25)22-6-9-26-20(12-22)14-33-35(26)15-18-3-2-4-21(29)11-18/h2-14,17H,15-16H2,1H3,(H2,30,31,32)
• InChIKey: NGQDBZGLLRUIQD-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 86.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.53
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine?

The IUPAC name of 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine (CID 140590163) is 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine.

What is the SMILES notation for 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine?

The canonical SMILES for 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine is CN(Cc1ccc(-c2ccc3ncnc(N)c3c2)o1)c1ccc2c(cnn2Cc2cccc(F)c2)c1.

What is the InChIKey of 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine?

The InChIKey is NGQDBZGLLRUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O/c1-34(16-23-7-10-27(36-23)19-5-8-25-24(13-19)28(30)32-17-31-25)22-6-9-26-20(12-22)14-33-35(26)15-18-3-2-4-21(29)11-18/h2-14,17H,15-16H2,1H3,(H2,30,31,32).

What are the key properties of 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine?

6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine has a molecular weight of 478.53 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine is sourced from PubChem (CID 140590163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).