3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C21H24N6O2 — CID 118061422

IUPAC3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1c(-c2cnc3ccccc3c2)nn2c1CN(C(N)=O)CC2
InChIInChI=1S/C21H24N6O2/c1-21(2,3)24-19(28)17-16-12-26(20(22)29)8-9-27(16)25-18(17)14-10-13-6-4-5-7-15(13)23-11-14/h4-7,10-11H,8-9,12H2,1-3H3,(H2,22,29)(H,24,28)
InChIKeyZRKSTXMSTUIOFC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.52
Rot. Bonds2

About 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061422) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061422
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1c(-c2cnc3ccccc3c2)nn2c1CN(C(N)=O)CC2
InChIInChI=1S/C21H24N6O2/c1-21(2,3)24-19(28)17-16-12-26(20(22)29)8-9-27(16)25-18(17)14-10-13-6-4-5-7-15(13)23-11-14/h4-7,10-11H,8-9,12H2,1-3H3,(H2,22,29)(H,24,28)
InChIKeyZRKSTXMSTUIOFC-UHFFFAOYSA-N
XLogP2.52
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061422) is 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)NC(=O)c1c(-c2cnc3ccccc3c2)nn2c1CN(C(N)=O)CC2.
What is the InChIKey of 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is ZRKSTXMSTUIOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-21(2,3)24-19(28)17-16-12-26(20(22)29)8-9-27(16)25-18(17)14-10-13-6-4-5-7-15(13)23-11-14/h4-7,10-11H,8-9,12H2,1-3H3,(H2,22,29)(H,24,28).
What are the key properties of 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).