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

C17H22N6O2 — CID 121308971

IUPAC5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3ccccn3)c(C(N)=O)c2C1
InChIInChI=1S/C17H22N6O2/c1-17(2,3)20-16(25)22-8-9-23-12(10-22)13(15(18)24)14(21-23)11-6-4-5-7-19-11/h4-7H,8-10H2,1-3H3,(H2,18,24)(H,20,25)
InChIKeyPLMUYKJMSZLBSQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.37
Rot. Bonds2

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

5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 121308971) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID121308971
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCn2nc(-c3ccccn3)c(C(N)=O)c2C1
InChIInChI=1S/C17H22N6O2/c1-17(2,3)20-16(25)22-8-9-23-12(10-22)13(15(18)24)14(21-23)11-6-4-5-7-19-11/h4-7H,8-10H2,1-3H3,(H2,18,24)(H,20,25)
InChIKeyPLMUYKJMSZLBSQ-UHFFFAOYSA-N
XLogP1.37
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 121308971) is 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)NC(=O)N1CCn2nc(-c3ccccn3)c(C(N)=O)c2C1.
What is the InChIKey of 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is PLMUYKJMSZLBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-17(2,3)20-16(25)22-8-9-23-12(10-22)13(15(18)24)14(21-23)11-6-4-5-7-19-11/h4-7H,8-10H2,1-3H3,(H2,18,24)(H,20,25).
What are the key properties of 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 121308971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).