1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one

C28H30N6O2 — CID 67807766

IUPAC1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
SMILESCCc1cnc(N2CCC(Oc3ccc(-n4ccc5cc(N6CCCC6=O)ccc54)nc3)CC2)nc1
InChIInChI=1S/C28H30N6O2/c1-2-20-17-30-28(31-18-20)32-13-10-23(11-14-32)36-24-6-8-26(29-19-24)34-15-9-21-16-22(5-7-25(21)34)33-12-3-4-27(33)35/h5-9,15-19,23H,2-4,10-14H2,1H3
InChIKeyOSTNZXSNWWZZED-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.55
Rot. Bonds6

About 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one

1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one (PubChem CID 67807766) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
PubChem CID67807766
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
SMILESCCc1cnc(N2CCC(Oc3ccc(-n4ccc5cc(N6CCCC6=O)ccc54)nc3)CC2)nc1
InChIInChI=1S/C28H30N6O2/c1-2-20-17-30-28(31-18-20)32-13-10-23(11-14-32)36-24-6-8-26(29-19-24)34-15-9-21-16-22(5-7-25(21)34)33-12-3-4-27(33)35/h5-9,15-19,23H,2-4,10-14H2,1H3
InChIKeyOSTNZXSNWWZZED-UHFFFAOYSA-N
XLogP4.55
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one (CID 67807766) is 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one is CCc1cnc(N2CCC(Oc3ccc(-n4ccc5cc(N6CCCC6=O)ccc54)nc3)CC2)nc1.
What is the InChIKey of 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one?
The InChIKey is OSTNZXSNWWZZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-2-20-17-30-28(31-18-20)32-13-10-23(11-14-32)36-24-6-8-26(29-19-24)34-15-9-21-16-22(5-7-25(21)34)33-12-3-4-27(33)35/h5-9,15-19,23H,2-4,10-14H2,1H3.
What are the key properties of 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one?
1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one has a molecular weight of 482.59 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 67807766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).