2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine

C22H19N5S — CID 129213996

IUPAC2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine
SMILESc1cc2nc(-c3ccc4c(c3)CCN4c3ccc4c(n3)CCNC4)cnc2s1
InChIInChI=1S/C22H19N5S/c1-3-20-15(11-14(1)19-13-24-22-18(25-19)7-10-28-22)6-9-27(20)21-4-2-16-12-23-8-5-17(16)26-21/h1-4,7,10-11,13,23H,5-6,8-9,12H2
InChIKeyIYEHJJLVRBVKOQ-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.09
Rot. Bonds2

About 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine

2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine (PubChem CID 129213996) has the molecular formula C22H19N5S and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine
PubChem CID129213996
Molecular FormulaC22H19N5S
Molecular Weight385.50 g/mol
Exact Mass385.14
IUPAC Name2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine
SMILESc1cc2nc(-c3ccc4c(c3)CCN4c3ccc4c(n3)CCNC4)cnc2s1
InChIInChI=1S/C22H19N5S/c1-3-20-15(11-14(1)19-13-24-22-18(25-19)7-10-28-22)6-9-27(20)21-4-2-16-12-23-8-5-17(16)26-21/h1-4,7,10-11,13,23H,5-6,8-9,12H2
InChIKeyIYEHJJLVRBVKOQ-UHFFFAOYSA-N
XLogP4.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine (CID 129213996) is 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine is c1cc2nc(-c3ccc4c(c3)CCN4c3ccc4c(n3)CCNC4)cnc2s1.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine?
The InChIKey is IYEHJJLVRBVKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S/c1-3-20-15(11-14(1)19-13-24-22-18(25-19)7-10-28-22)6-9-27(20)21-4-2-16-12-23-8-5-17(16)26-21/h1-4,7,10-11,13,23H,5-6,8-9,12H2.
What are the key properties of 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine?
2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine has a molecular weight of 385.50 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-2,3-dihydroindol-5-yl]thieno[2,3-b]pyrazine is sourced from PubChem (CID 129213996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).