1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one

C22H23N5O2 — CID 167981430

IUPAC1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one
SMILESCOc1ccc2[nH]cc(C3=CCN(c4cnc(N5CCCC5=O)cn4)CC3)c2c1
InChIInChI=1S/C22H23N5O2/c1-29-16-4-5-19-17(11-16)18(12-23-19)15-6-9-26(10-7-15)20-13-25-21(14-24-20)27-8-2-3-22(27)28/h4-6,11-14,23H,2-3,7-10H2,1H3
InChIKeyYTIIQUBNQUKRPD-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.39
Rot. Bonds4

About 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one

1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one (PubChem CID 167981430) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one
PubChem CID167981430
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one
SMILESCOc1ccc2[nH]cc(C3=CCN(c4cnc(N5CCCC5=O)cn4)CC3)c2c1
InChIInChI=1S/C22H23N5O2/c1-29-16-4-5-19-17(11-16)18(12-23-19)15-6-9-26(10-7-15)20-13-25-21(14-24-20)27-8-2-3-22(27)28/h4-6,11-14,23H,2-3,7-10H2,1H3
InChIKeyYTIIQUBNQUKRPD-UHFFFAOYSA-N
XLogP3.39
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one (CID 167981430) is 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one is COc1ccc2[nH]cc(C3=CCN(c4cnc(N5CCCC5=O)cn4)CC3)c2c1.
What is the InChIKey of 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one?
The InChIKey is YTIIQUBNQUKRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-16-4-5-19-17(11-16)18(12-23-19)15-6-9-26(10-7-15)20-13-25-21(14-24-20)27-8-2-3-22(27)28/h4-6,11-14,23H,2-3,7-10H2,1H3.
What are the key properties of 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one?
1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 167981430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).