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

C21H23N7O2 — CID 90147519

IUPACN-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCc1cc2cc(Oc3nc(Nc4ccno4)cc(N4CCN(C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C21H23N7O2/c1-14-11-15-12-16(3-4-17(15)23-14)29-21-25-18(24-20-5-6-22-30-20)13-19(26-21)28-9-7-27(2)8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,24,25,26)
InChIKeySQWBVSQXLIISIM-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.54
Rot. Bonds5

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

N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (PubChem CID 90147519) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
PubChem CID90147519
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCc1cc2cc(Oc3nc(Nc4ccno4)cc(N4CCN(C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C21H23N7O2/c1-14-11-15-12-16(3-4-17(15)23-14)29-21-25-18(24-20-5-6-22-30-20)13-19(26-21)28-9-7-27(2)8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,24,25,26)
InChIKeySQWBVSQXLIISIM-UHFFFAOYSA-N
XLogP3.54
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The IUPAC name of N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (CID 90147519) is N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The canonical SMILES for N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine is Cc1cc2cc(Oc3nc(Nc4ccno4)cc(N4CCN(C)CC4)n3)ccc2[nH]1.
What is the InChIKey of N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The InChIKey is SQWBVSQXLIISIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-14-11-15-12-16(3-4-17(15)23-14)29-21-25-18(24-20-5-6-22-30-20)13-19(26-21)28-9-7-27(2)8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,24,25,26).
What are the key properties of N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine has a molecular weight of 405.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 90147519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).