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

C24H25F2N7O2 — CID 90147237

IUPAC3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H25F2N7O2/c1-13-9-15-22(26)18(10-16(25)23(15)27-13)34-24-29-19(28-21-11-17(31-35-21)14-3-4-14)12-20(30-24)33-7-5-32(2)6-8-33/h9-12,14,27H,3-8H2,1-2H3,(H,28,29,30)
InChIKeyAURNLLFLAJOFPS-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.70
Rot. Bonds6

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

3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (PubChem CID 90147237) has the molecular formula C24H25F2N7O2 and a molecular weight of 481.51 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
PubChem CID90147237
Molecular FormulaC24H25F2N7O2
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC Name3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H25F2N7O2/c1-13-9-15-22(26)18(10-16(25)23(15)27-13)34-24-29-19(28-21-11-17(31-35-21)14-3-4-14)12-20(30-24)33-7-5-32(2)6-8-33/h9-12,14,27H,3-8H2,1-2H3,(H,28,29,30)
InChIKeyAURNLLFLAJOFPS-UHFFFAOYSA-N
XLogP4.70
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (CID 90147237) is 3-cyclopropyl-N-[2-[(4,7-difluoro-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 3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The InChIKey is AURNLLFLAJOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O2/c1-13-9-15-22(26)18(10-16(25)23(15)27-13)34-24-29-19(28-21-11-17(31-35-21)14-3-4-14)12-20(30-24)33-7-5-32(2)6-8-33/h9-12,14,27H,3-8H2,1-2H3,(H,28,29,30).
What are the key properties of 3-cyclopropyl-N-[2-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
3-cyclopropyl-N-[2-[(4,7-difluoro-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 481.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[(4,7-difluoro-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 90147237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).