5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C21H34N6O3 — CID 46278862

IUPAC5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCCN3CCCC3)cc2C(=O)N1C
InChIInChI=1S/C21H34N6O3/c1-15(2)7-8-23-20(30)21(3)14-27-17(19(29)25(21)4)13-16(24-27)18(28)22-9-12-26-10-5-6-11-26/h13,15H,5-12,14H2,1-4H3,(H,22,28)(H,23,30)
InChIKeyADNFHGWZRPZNNX-UHFFFAOYSA-N
MW418.54 g/mol
LogP0.72
Rot. Bonds8

About 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278862) has the molecular formula C21H34N6O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278862
Molecular FormulaC21H34N6O3
Molecular Weight418.54 g/mol
Exact Mass418.27
IUPAC Name5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCCN3CCCC3)cc2C(=O)N1C
InChIInChI=1S/C21H34N6O3/c1-15(2)7-8-23-20(30)21(3)14-27-17(19(29)25(21)4)13-16(24-27)18(28)22-9-12-26-10-5-6-11-26/h13,15H,5-12,14H2,1-4H3,(H,22,28)(H,23,30)
InChIKeyADNFHGWZRPZNNX-UHFFFAOYSA-N
XLogP0.72
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278862) is 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCCN3CCCC3)cc2C(=O)N1C.
What is the InChIKey of 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is ADNFHGWZRPZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O3/c1-15(2)7-8-23-20(30)21(3)14-27-17(19(29)25(21)4)13-16(24-27)18(28)22-9-12-26-10-5-6-11-26/h13,15H,5-12,14H2,1-4H3,(H,22,28)(H,23,30).
What are the key properties of 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 418.54 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).