2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide

C21H27N5O3 — CID 131693559

IUPAC2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCc1cncc(C(=O)N2Cc3ccnn3C(CC(=O)NCC3CCOCC3)C2)c1
InChIInChI=1S/C21H27N5O3/c1-15-8-17(12-22-10-15)21(28)25-13-18-2-5-24-26(18)19(14-25)9-20(27)23-11-16-3-6-29-7-4-16/h2,5,8,10,12,16,19H,3-4,6-7,9,11,13-14H2,1H3,(H,23,27)
InChIKeyLXPVMVVPLQTRGO-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.72
Rot. Bonds5

About 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide

2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 131693559) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID131693559
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCc1cncc(C(=O)N2Cc3ccnn3C(CC(=O)NCC3CCOCC3)C2)c1
InChIInChI=1S/C21H27N5O3/c1-15-8-17(12-22-10-15)21(28)25-13-18-2-5-24-26(18)19(14-25)9-20(27)23-11-16-3-6-29-7-4-16/h2,5,8,10,12,16,19H,3-4,6-7,9,11,13-14H2,1H3,(H,23,27)
InChIKeyLXPVMVVPLQTRGO-UHFFFAOYSA-N
XLogP1.72
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-ylmethyl)-2-[(7R)-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124794962
N-(cyclopropylmethyl)-2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131641559
[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
CID 124793376
N-methyl-2-[5-(pyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131693758
N-[[5-(6-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133142949
N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124782387
2-[5-(3-hydroxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylacetamide
CID 131693452
[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 131640417
(1-methylpyrrol-2-yl)-[(7R)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815853
(1-methylpyrrol-2-yl)-[(7S)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815855
1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
CID 131693779

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide (CID 131693559) is 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide is Cc1cncc(C(=O)N2Cc3ccnn3C(CC(=O)NCC3CCOCC3)C2)c1.
What is the InChIKey of 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is LXPVMVVPLQTRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15-8-17(12-22-10-15)21(28)25-13-18-2-5-24-26(18)19(14-25)9-20(27)23-11-16-3-6-29-7-4-16/h2,5,8,10,12,16,19H,3-4,6-7,9,11,13-14H2,1H3,(H,23,27).
What are the key properties of 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 131693559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).