N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide

C16H21N5O — CID 131677306

IUPACN-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
SMILESCNC(=O)CC1CN(Cc2cccc(C)n2)Cc2ccnn21
InChIInChI=1S/C16H21N5O/c1-12-4-3-5-13(19-12)9-20-10-14-6-7-18-21(14)15(11-20)8-16(22)17-2/h3-7,15H,8-11H2,1-2H3,(H,17,22)
InChIKeyVHFOWGOCGNXNFW-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.28
Rot. Bonds4

About N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide

N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide (PubChem CID 131677306) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
PubChem CID131677306
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
SMILESCNC(=O)CC1CN(Cc2cccc(C)n2)Cc2ccnn21
InChIInChI=1S/C16H21N5O/c1-12-4-3-5-13(19-12)9-20-10-14-6-7-18-21(14)15(11-20)8-16(22)17-2/h3-7,15H,8-11H2,1-2H3,(H,17,22)
InChIKeyVHFOWGOCGNXNFW-UHFFFAOYSA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide (CID 131677306) is N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide is CNC(=O)CC1CN(Cc2cccc(C)n2)Cc2ccnn21.
What is the InChIKey of N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
The InChIKey is VHFOWGOCGNXNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-4-3-5-13(19-12)9-20-10-14-6-7-18-21(14)15(11-20)8-16(22)17-2/h3-7,15H,8-11H2,1-2H3,(H,17,22).
What are the key properties of N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide?
N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide has a molecular weight of 299.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 131677306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).