6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine

C16H20N4 — CID 133463810

IUPAC6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine
SMILESCC1CN(c2ccc3nccnc3n2)C2CCCCC12
InChIInChI=1S/C16H20N4/c1-11-10-20(14-5-3-2-4-12(11)14)15-7-6-13-16(19-15)18-9-8-17-13/h6-9,11-12,14H,2-5,10H2,1H3
InChIKeyPAXDALHLKMBXML-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.04
Rot. Bonds1

About 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine

6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine (PubChem CID 133463810) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine
PubChem CID133463810
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine
SMILESCC1CN(c2ccc3nccnc3n2)C2CCCCC12
InChIInChI=1S/C16H20N4/c1-11-10-20(14-5-3-2-4-12(11)14)15-7-6-13-16(19-15)18-9-8-17-13/h6-9,11-12,14H,2-5,10H2,1H3
InChIKeyPAXDALHLKMBXML-UHFFFAOYSA-N
XLogP3.04
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine?
The IUPAC name of 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine (CID 133463810) is 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine is CC1CN(c2ccc3nccnc3n2)C2CCCCC12.
What is the InChIKey of 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine?
The InChIKey is PAXDALHLKMBXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-10-20(14-5-3-2-4-12(11)14)15-7-6-13-16(19-15)18-9-8-17-13/h6-9,11-12,14H,2-5,10H2,1H3.
What are the key properties of 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine?
6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine has a molecular weight of 268.36 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 133463810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).