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

C23H16N4O2 — CID 72545256

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine
SMILESc1cc2cc(-c3cnc4nc(-c5ccc6c(c5)OCCO6)cnc4c3)ccc2[nH]1
InChIInChI=1S/C23H16N4O2/c1-3-18-16(5-6-24-18)9-14(1)17-10-19-23(26-12-17)27-20(13-25-19)15-2-4-21-22(11-15)29-8-7-28-21/h1-6,9-13,24H,7-8H2
InChIKeyRSLYRDQBIRJIGZ-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.61
Rot. Bonds2

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine (PubChem CID 72545256) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine
PubChem CID72545256
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine
SMILESc1cc2cc(-c3cnc4nc(-c5ccc6c(c5)OCCO6)cnc4c3)ccc2[nH]1
InChIInChI=1S/C23H16N4O2/c1-3-18-16(5-6-24-18)9-14(1)17-10-19-23(26-12-17)27-20(13-25-19)15-2-4-21-22(11-15)29-8-7-28-21/h1-6,9-13,24H,7-8H2
InChIKeyRSLYRDQBIRJIGZ-UHFFFAOYSA-N
XLogP4.61
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine (CID 72545256) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine is c1cc2cc(-c3cnc4nc(-c5ccc6c(c5)OCCO6)cnc4c3)ccc2[nH]1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine?
The InChIKey is RSLYRDQBIRJIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-3-18-16(5-6-24-18)9-14(1)17-10-19-23(26-12-17)27-20(13-25-19)15-2-4-21-22(11-15)29-8-7-28-21/h1-6,9-13,24H,7-8H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine has a molecular weight of 380.41 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1H-indol-5-yl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 72545256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).