2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone

C17H23N5O3 — CID 124802069

IUPAC2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
SMILESCc1cc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)no1
InChIInChI=1S/C17H23N5O3/c1-13-8-14(19-25-13)10-20-11-15-4-5-18-22(15)16(12-20)9-17(23)21-6-2-3-7-24-21/h4-5,8,16H,2-3,6-7,9-12H2,1H3/t16-/m0/s1
InChIKeyZPNIOPNPOAQLAP-INIZCTEOSA-N
MW345.40 g/mol
LogP1.68
Rot. Bonds4

About 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone

2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone (PubChem CID 124802069) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
PubChem CID124802069
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
SMILESCc1cc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)no1
InChIInChI=1S/C17H23N5O3/c1-13-8-14(19-25-13)10-20-11-15-4-5-18-22(15)16(12-20)9-17(23)21-6-2-3-7-24-21/h4-5,8,16H,2-3,6-7,9-12H2,1H3/t16-/m0/s1
InChIKeyZPNIOPNPOAQLAP-INIZCTEOSA-N
XLogP1.68
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone with MolForge

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Related Compounds

2-[(7S)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
CID 124804492
2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
CID 124912486
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
1-[2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
CID 131640572
2-cyclopropyl-N-[2-[(7R)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
CID 124801608
2-[(3aR,7S,7aS)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-(1,2-oxazolidin-2-yl)ethanone
CID 97387703
2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(thiophen-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155862286
[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone
CID 124912480
N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677306
2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 155851845
1-(azetidin-1-yl)-2-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 131693451
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone?
The IUPAC name of 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone (CID 124802069) is 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone.
What is the SMILES notation for 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone?
The canonical SMILES for 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone is Cc1cc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)no1.
What is the InChIKey of 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone?
The InChIKey is ZPNIOPNPOAQLAP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-13-8-14(19-25-13)10-20-11-15-4-5-18-22(15)16(12-20)9-17(23)21-6-2-3-7-24-21/h4-5,8,16H,2-3,6-7,9-12H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone?
2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone has a molecular weight of 345.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone is sourced from PubChem (CID 124802069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).