1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one

C27H33N7O3 — CID 162675059

IUPAC1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one
SMILESCC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCCCC6=O)ccc54)ncn3)CC2)n1
InChIInChI=1S/C27H33N7O3/c1-18(2)26-30-27(37-31-26)32-12-9-21(10-13-32)36-24-16-23(28-17-29-24)34-14-8-19-15-20(6-7-22(19)34)33-11-4-3-5-25(33)35/h6-7,15-18,21H,3-5,8-14H2,1-2H3
InChIKeyLQPZDLICYVLELT-UHFFFAOYSA-N
MW503.61 g/mol
LogP4.24
Rot. Bonds6

About 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one

1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one (PubChem CID 162675059) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one
PubChem CID162675059
Molecular FormulaC27H33N7O3
Molecular Weight503.61 g/mol
Exact Mass503.26
IUPAC Name1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one
SMILESCC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCCCC6=O)ccc54)ncn3)CC2)n1
InChIInChI=1S/C27H33N7O3/c1-18(2)26-30-27(37-31-26)32-12-9-21(10-13-32)36-24-16-23(28-17-29-24)34-14-8-19-15-20(6-7-22(19)34)33-11-4-3-5-25(33)35/h6-7,15-18,21H,3-5,8-14H2,1-2H3
InChIKeyLQPZDLICYVLELT-UHFFFAOYSA-N
XLogP4.24
TPSA100.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one?
The IUPAC name of 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one (CID 162675059) is 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one is CC(C)c1noc(N2CCC(Oc3cc(N4CCc5cc(N6CCCCC6=O)ccc54)ncn3)CC2)n1.
What is the InChIKey of 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one?
The InChIKey is LQPZDLICYVLELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-18(2)26-30-27(37-31-26)32-12-9-21(10-13-32)36-24-16-23(28-17-29-24)34-14-8-19-15-20(6-7-22(19)34)33-11-4-3-5-25(33)35/h6-7,15-18,21H,3-5,8-14H2,1-2H3.
What are the key properties of 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one?
1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one has a molecular weight of 503.61 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]piperidin-2-one is sourced from PubChem (CID 162675059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).