[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone

C18H23N3O3S — CID 124793376

IUPAC[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1Cc2ccnn2[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C18H23N3O3S/c22-18(15-4-8-25-13-15)20-9-16-1-5-19-21(16)17(10-20)12-24-11-14-2-6-23-7-3-14/h1,4-5,8,13-14,17H,2-3,6-7,9-12H2/t17-/m1/s1
InChIKeyNAUUIOMLFGCASY-QGZVFWFLSA-N
MW361.47 g/mol
LogP2.58
Rot. Bonds5

About [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone

[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone (PubChem CID 124793376) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
PubChem CID124793376
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1Cc2ccnn2[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C18H23N3O3S/c22-18(15-4-8-25-13-15)20-9-16-1-5-19-21(16)17(10-20)12-24-11-14-2-6-23-7-3-14/h1,4-5,8,13-14,17H,2-3,6-7,9-12H2/t17-/m1/s1
InChIKeyNAUUIOMLFGCASY-QGZVFWFLSA-N
XLogP2.58
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781899
(7S)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781898
(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
[(7S)-7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-thiophen-3-ylmethanone
CID 97463321
2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155844178
5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133142240
N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
CID 124781272
2-[5-(5-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(oxan-4-ylmethyl)acetamide
CID 131693559
[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone
CID 86788515
(5-methylthiophen-2-yl)-[(5S)-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124788803
(1-methylpyrazol-4-yl)-[4-[2-(oxan-4-ylmethoxy)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 131644020

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone (CID 124793376) is [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1Cc2ccnn2[C@@H](COCC2CCOCC2)C1.
What is the InChIKey of [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone?
The InChIKey is NAUUIOMLFGCASY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-18(15-4-8-25-13-15)20-9-16-1-5-19-21(16)17(10-20)12-24-11-14-2-6-23-7-3-14/h1,4-5,8,13-14,17H,2-3,6-7,9-12H2/t17-/m1/s1.
What are the key properties of [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone?
[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone has a molecular weight of 361.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 124793376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).