3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine

C24H18N4O2 — CID 72545750

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine
SMILESCn1ccc2cc(-c3cnc4nc(-c5ccc6c(c5)OCCO6)cnc4c3)ccc21
InChIInChI=1S/C24H18N4O2/c1-28-7-6-17-10-15(2-4-21(17)28)18-11-19-24(26-13-18)27-20(14-25-19)16-3-5-22-23(12-16)30-9-8-29-22/h2-7,10-14H,8-9H2,1H3
InChIKeyJXLOLEWLBPDOET-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.62
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine (PubChem CID 72545750) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine
PubChem CID72545750
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine
SMILESCn1ccc2cc(-c3cnc4nc(-c5ccc6c(c5)OCCO6)cnc4c3)ccc21
InChIInChI=1S/C24H18N4O2/c1-28-7-6-17-10-15(2-4-21(17)28)18-11-19-24(26-13-18)27-20(14-25-19)16-3-5-22-23(12-16)30-9-8-29-22/h2-7,10-14H,8-9H2,1H3
InChIKeyJXLOLEWLBPDOET-UHFFFAOYSA-N
XLogP4.62
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine (CID 72545750) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine is Cn1ccc2cc(-c3cnc4nc(-c5ccc6c(c5)OCCO6)cnc4c3)ccc21.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine?
The InChIKey is JXLOLEWLBPDOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-28-7-6-17-10-15(2-4-21(17)28)18-11-19-24(26-13-18)27-20(14-25-19)16-3-5-22-23(12-16)30-9-8-29-22/h2-7,10-14H,8-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine has a molecular weight of 394.43 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylindol-5-yl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 72545750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).