5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one

C22H15N7O — CID 123615778

IUPAC5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(N(c3cnc4ccccc4c3)c3nc4cnccn4n3)ccc2N1
InChIInChI=1S/C22H15N7O/c30-21-11-15-10-16(5-6-19(15)25-21)29(22-26-20-13-23-7-8-28(20)27-22)17-9-14-3-1-2-4-18(14)24-12-17/h1-10,12-13H,11H2,(H,25,30)
InChIKeyDDSSMPVEZSQYAC-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.64
Rot. Bonds3

About 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one

5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 123615778) has the molecular formula C22H15N7O and a molecular weight of 393.41 g/mol. Its IUPAC name is 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one
PubChem CID123615778
Molecular FormulaC22H15N7O
Molecular Weight393.41 g/mol
Exact Mass393.13
IUPAC Name5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(N(c3cnc4ccccc4c3)c3nc4cnccn4n3)ccc2N1
InChIInChI=1S/C22H15N7O/c30-21-11-15-10-16(5-6-19(15)25-21)29(22-26-20-13-23-7-8-28(20)27-22)17-9-14-3-1-2-4-18(14)24-12-17/h1-10,12-13H,11H2,(H,25,30)
InChIKeyDDSSMPVEZSQYAC-UHFFFAOYSA-N
XLogP3.64
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one (CID 123615778) is 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one is O=C1Cc2cc(N(c3cnc4ccccc4c3)c3nc4cnccn4n3)ccc2N1.
What is the InChIKey of 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is DDSSMPVEZSQYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7O/c30-21-11-15-10-16(5-6-19(15)25-21)29(22-26-20-13-23-7-8-28(20)27-22)17-9-14-3-1-2-4-18(14)24-12-17/h1-10,12-13H,11H2,(H,25,30).
What are the key properties of 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one?
5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 393.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[quinolin-3-yl([1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 123615778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).