7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C21H18N6O — CID 54582534

IUPAC7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESNCC1CNC(=O)c2cc(-c3ccnc(-c4cnc5ccccc5c4)c3)nn21
InChIInChI=1S/C21H18N6O/c22-10-16-12-25-21(28)20-9-19(26-27(16)20)14-5-6-23-18(8-14)15-7-13-3-1-2-4-17(13)24-11-15/h1-9,11,16H,10,12,22H2,(H,25,28)
InChIKeyZAVPLUDVERDQKO-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.40
Rot. Bonds3

About 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 54582534) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID54582534
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESNCC1CNC(=O)c2cc(-c3ccnc(-c4cnc5ccccc5c4)c3)nn21
InChIInChI=1S/C21H18N6O/c22-10-16-12-25-21(28)20-9-19(26-27(16)20)14-5-6-23-18(8-14)15-7-13-3-1-2-4-17(13)24-11-15/h1-9,11,16H,10,12,22H2,(H,25,28)
InChIKeyZAVPLUDVERDQKO-UHFFFAOYSA-N
XLogP2.40
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 54582534) is 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is NCC1CNC(=O)c2cc(-c3ccnc(-c4cnc5ccccc5c4)c3)nn21.
What is the InChIKey of 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZAVPLUDVERDQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c22-10-16-12-25-21(28)20-9-19(26-27(16)20)14-5-6-23-18(8-14)15-7-13-3-1-2-4-17(13)24-11-15/h1-9,11,16H,10,12,22H2,(H,25,28).
What are the key properties of 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 370.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-2-(2-quinolin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 54582534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).