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

C24H26FN7O2 — CID 90147238

IUPAC3-cyclopropyl-N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCc1cc2cc(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H26FN7O2/c1-14-9-16-10-17(11-18(25)23(16)26-14)33-24-28-20(27-22-12-19(30-34-22)15-3-4-15)13-21(29-24)32-7-5-31(2)6-8-32/h9-13,15,26H,3-8H2,1-2H3,(H,27,28,29)
InChIKeyIXEMVTJCCVCVCS-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.56
Rot. Bonds6

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

3-cyclopropyl-N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (PubChem CID 90147238) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(7-fluoro-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-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
PubChem CID90147238
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name3-cyclopropyl-N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
SMILESCc1cc2cc(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1
InChIInChI=1S/C24H26FN7O2/c1-14-9-16-10-17(11-18(25)23(16)26-14)33-24-28-20(27-22-12-19(30-34-22)15-3-4-15)13-21(29-24)32-7-5-31(2)6-8-32/h9-13,15,26H,3-8H2,1-2H3,(H,27,28,29)
InChIKeyIXEMVTJCCVCVCS-UHFFFAOYSA-N
XLogP4.56
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

CID 59394373
CID 59394373
CID 59394725
CID 59394725
CID 134611711
CID 134611711
CID 46224334
CID 46224334
CID 56970263
CID 56970263
CID 59394005
CID 59394005
CID 59394015
CID 59394015
CID 59394146
CID 59394146
CID 59394176
CID 59394176
CID 59394177
CID 59394177
CID 59394193
CID 59394193
CID 59394220
CID 59394220

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(7-fluoro-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-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine (CID 90147238) is 3-cyclopropyl-N-[2-[(7-fluoro-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-[(7-fluoro-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-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine is Cc1cc2cc(Oc3nc(Nc4cc(C5CC5)no4)cc(N4CCN(C)CC4)n3)cc(F)c2[nH]1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
The InChIKey is IXEMVTJCCVCVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-14-9-16-10-17(11-18(25)23(16)26-14)33-24-28-20(27-22-12-19(30-34-22)15-3-4-15)13-21(29-24)32-7-5-31(2)6-8-32/h9-13,15,26H,3-8H2,1-2H3,(H,27,28,29).
What are the key properties of 3-cyclopropyl-N-[2-[(7-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine?
3-cyclopropyl-N-[2-[(7-fluoro-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 463.52 g/mol, XLogP of 4.56, 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-[(7-fluoro-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 90147238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).