1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one

C23H21N9O — CID 59341929

IUPAC1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C23H21N9O/c33-21-4-2-8-30(21)9-10-31-15-18(12-26-31)20-13-25-22-23(27-20)32(29-28-22)14-16-5-6-19-17(11-16)3-1-7-24-19/h1,3,5-7,11-13,15H,2,4,8-10,14H2
InChIKeyMZJGVMSBISATEQ-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.30
Rot. Bonds6

About 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 59341929) has the molecular formula C23H21N9O and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one
PubChem CID59341929
Molecular FormulaC23H21N9O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC Name1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C23H21N9O/c33-21-4-2-8-30(21)9-10-31-15-18(12-26-31)20-13-25-22-23(27-20)32(29-28-22)14-16-5-6-19-17(11-16)3-1-7-24-19/h1,3,5-7,11-13,15H,2,4,8-10,14H2
InChIKeyMZJGVMSBISATEQ-UHFFFAOYSA-N
XLogP2.30
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one (CID 59341929) is 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.
What is the InChIKey of 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is MZJGVMSBISATEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O/c33-21-4-2-8-30(21)9-10-31-15-18(12-26-31)20-13-25-22-23(27-20)32(29-28-22)14-16-5-6-19-17(11-16)3-1-7-24-19/h1,3,5-7,11-13,15H,2,4,8-10,14H2.
What are the key properties of 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 439.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 59341929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).