N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

C22H23F2N7O2 — CID 90147215

IUPACN-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C22H23F2N7O2/c1-12-8-14-20(24)16(10-15(23)21(14)25-12)32-22-27-17(26-18-9-13(2)33-29-18)11-19(28-22)31-6-4-30(3)5-7-31/h8-11,25H,4-7H2,1-3H3,(H,26,27,28,29)
InChIKeyFSTVBQZIHBDPMI-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.13
Rot. Bonds5

About N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine

N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 90147215) has the molecular formula C22H23F2N7O2 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[2-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
PubChem CID90147215
Molecular FormulaC22H23F2N7O2
Molecular Weight455.47 g/mol
Exact Mass455.19
IUPAC NameN-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C22H23F2N7O2/c1-12-8-14-20(24)16(10-15(23)21(14)25-12)32-22-27-17(26-18-9-13(2)33-29-18)11-19(28-22)31-6-4-30(3)5-7-31/h8-11,25H,4-7H2,1-3H3,(H,26,27,28,29)
InChIKeyFSTVBQZIHBDPMI-UHFFFAOYSA-N
XLogP4.13
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[(4,7-difluoro-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-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine (CID 90147215) is N-[2-[(4,7-difluoro-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-[(4,7-difluoro-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-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C)on4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1.
What is the InChIKey of N-[2-[(4,7-difluoro-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 FSTVBQZIHBDPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7O2/c1-12-8-14-20(24)16(10-15(23)21(14)25-12)32-22-27-17(26-18-9-13(2)33-29-18)11-19(28-22)31-6-4-30(3)5-7-31/h8-11,25H,4-7H2,1-3H3,(H,26,27,28,29).
What are the key properties of N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine?
N-[2-[(4,7-difluoro-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 455.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,7-difluoro-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 90147215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).