N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

C22H24FN7O2 — CID 90147105

IUPACN-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc2cc(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)c(F)cc2[nH]1
InChIInChI=1S/C22H24FN7O2/c1-13-8-15-10-18(16(23)11-17(15)24-13)31-22-26-19(25-20-9-14(2)32-28-20)12-21(27-22)30-6-4-29(3)5-7-30/h8-12,24H,4-7H2,1-3H3,(H,25,26,27,28)
InChIKeyDNJHENDLGBHERN-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.99
Rot. Bonds5

About N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 90147105) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID90147105
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC NameN-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc2cc(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)c(F)cc2[nH]1
InChIInChI=1S/C22H24FN7O2/c1-13-8-15-10-18(16(23)11-17(15)24-13)31-22-26-19(25-20-9-14(2)32-28-20)12-21(27-22)30-6-4-29(3)5-7-30/h8-12,24H,4-7H2,1-3H3,(H,25,26,27,28)
InChIKeyDNJHENDLGBHERN-UHFFFAOYSA-N
XLogP3.99
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (CID 90147105) is N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc2cc(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)c(F)cc2[nH]1.
What is the InChIKey of N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is DNJHENDLGBHERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2/c1-13-8-15-10-18(16(23)11-17(15)24-13)31-22-26-19(25-20-9-14(2)32-28-20)12-21(27-22)30-6-4-29(3)5-7-30/h8-12,24H,4-7H2,1-3H3,(H,25,26,27,28).
What are the key properties of N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 437.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 90147105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).