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

C23H27N7O2 — CID 90147501

IUPACN-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc2c(C)c(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C23H27N7O2/c1-14-11-17-16(3)19(6-5-18(17)24-14)31-23-26-20(25-21-12-15(2)32-28-21)13-22(27-23)30-9-7-29(4)8-10-30/h5-6,11-13,24H,7-10H2,1-4H3,(H,25,26,27,28)
InChIKeyQTJLDMKIJQBAND-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.16
Rot. Bonds5

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

N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 90147501) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[2-[(2,4-dimethyl-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-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID90147501
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc2c(C)c(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)ccc2[nH]1
InChIInChI=1S/C23H27N7O2/c1-14-11-17-16(3)19(6-5-18(17)24-14)31-23-26-20(25-21-12-15(2)32-28-21)13-22(27-23)30-9-7-29(4)8-10-30/h5-6,11-13,24H,7-10H2,1-4H3,(H,25,26,27,28)
InChIKeyQTJLDMKIJQBAND-UHFFFAOYSA-N
XLogP4.16
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethyl-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-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (CID 90147501) is N-[2-[(2,4-dimethyl-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-[(2,4-dimethyl-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-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc2c(C)c(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)ccc2[nH]1.
What is the InChIKey of N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is QTJLDMKIJQBAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-14-11-17-16(3)19(6-5-18(17)24-14)31-23-26-20(25-21-12-15(2)32-28-21)13-22(27-23)30-9-7-29(4)8-10-30/h5-6,11-13,24H,7-10H2,1-4H3,(H,25,26,27,28).
What are the key properties of N-[2-[(2,4-dimethyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
N-[2-[(2,4-dimethyl-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 433.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethyl-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 90147501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).