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

C28H23FN6O — CID 140590163

IUPAC6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine
SMILESCN(Cc1ccc(-c2ccc3ncnc(N)c3c2)o1)c1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIInChI=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)
InChIKeyNGQDBZGLLRUIQD-UHFFFAOYSA-N
MW478.53 g/mol
LogP5.65
Rot. Bonds6

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 Name6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine
PubChem CID140590163
Molecular FormulaC28H23FN6O
Molecular Weight478.53 g/mol
Exact Mass478.19
IUPAC Name6-[5-[[[1-[(3-fluorophenyl)methyl]indazol-5-yl]-methylamino]methyl]furan-2-yl]quinazolin-4-amine
SMILESCN(Cc1ccc(-c2ccc3ncnc(N)c3c2)o1)c1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIInChI=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)
InChIKeyNGQDBZGLLRUIQD-UHFFFAOYSA-N
XLogP5.65
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).