6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

C18H13ClN4O — CID 73335707

IUPAC6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
SMILESCc1c2n(c3c(-c4ccc(Cl)nc4)cc(C#N)cc13)CCNC2=O
InChIInChI=1S/C18H13ClN4O/c1-10-13-6-11(8-20)7-14(12-2-3-15(19)22-9-12)17(13)23-5-4-21-18(24)16(10)23/h2-3,6-7,9H,4-5H2,1H3,(H,21,24)
InChIKeyVZMRSQLRLNOKJS-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.28
Rot. Bonds1

About 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile (PubChem CID 73335707) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
PubChem CID73335707
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
SMILESCc1c2n(c3c(-c4ccc(Cl)nc4)cc(C#N)cc13)CCNC2=O
InChIInChI=1S/C18H13ClN4O/c1-10-13-6-11(8-20)7-14(12-2-3-15(19)22-9-12)17(13)23-5-4-21-18(24)16(10)23/h2-3,6-7,9H,4-5H2,1H3,(H,21,24)
InChIKeyVZMRSQLRLNOKJS-UHFFFAOYSA-N
XLogP3.28
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile (CID 73335707) is 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile is Cc1c2n(c3c(-c4ccc(Cl)nc4)cc(C#N)cc13)CCNC2=O.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The InChIKey is VZMRSQLRLNOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-10-13-6-11(8-20)7-14(12-2-3-15(19)22-9-12)17(13)23-5-4-21-18(24)16(10)23/h2-3,6-7,9H,4-5H2,1H3,(H,21,24).
What are the key properties of 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile has a molecular weight of 336.78 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile is sourced from PubChem (CID 73335707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).