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

C17H23N5O2S — CID 124804492

IUPAC2-[(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
SMILESCc1nc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)cs1
InChIInChI=1S/C17H23N5O2S/c1-13-19-14(12-25-13)9-20-10-15-4-5-18-22(15)16(11-20)8-17(23)21-6-2-3-7-24-21/h4-5,12,16H,2-3,6-11H2,1H3/t16-/m0/s1
InChIKeyUMEKHHDQCNMZSS-INIZCTEOSA-N
MW361.47 g/mol
LogP2.15
Rot. Bonds4

About 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

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 (PubChem CID 124804492) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID124804492
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[(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
SMILESCc1nc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)cs1
InChIInChI=1S/C17H23N5O2S/c1-13-19-14(12-25-13)9-20-10-15-4-5-18-22(15)16(11-20)8-17(23)21-6-2-3-7-24-21/h4-5,12,16H,2-3,6-11H2,1H3/t16-/m0/s1
InChIKeyUMEKHHDQCNMZSS-INIZCTEOSA-N
XLogP2.15
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 133136366
(7S)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124805081
N-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131660732
[(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
[(2S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97423338
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
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-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 133142481
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(CN2Cc3ccnn3[C@@H](CC(=O)N3CCCCO3)C2)cs1.
What is the InChIKey of 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?
The InChIKey is UMEKHHDQCNMZSS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-13-19-14(12-25-13)9-20-10-15-4-5-18-22(15)16(11-20)8-17(23)21-6-2-3-7-24-21/h4-5,12,16H,2-3,6-11H2,1H3/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 361.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124804492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).