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

C17H22N4O2S — CID 124912480

IUPAC[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone
SMILESCc1ccsc1CN1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1
InChIInChI=1S/C17H22N4O2S/c1-13-5-9-24-16(13)12-19-10-14-4-6-18-21(14)15(11-19)17(22)20-7-2-3-8-23-20/h4-6,9,15H,2-3,7-8,10-12H2,1H3/t15-/m0/s1
InChIKeyLBDSEYYAYAJBPH-HNNXBMFYSA-N
MW346.46 g/mol
LogP2.36
Rot. Bonds3

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

[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone (PubChem CID 124912480) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone
PubChem CID124912480
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone
SMILESCc1ccsc1CN1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1
InChIInChI=1S/C17H22N4O2S/c1-13-5-9-24-16(13)12-19-10-14-4-6-18-21(14)15(11-19)17(22)20-7-2-3-8-23-20/h4-6,9,15H,2-3,7-8,10-12H2,1H3/t15-/m0/s1
InChIKeyLBDSEYYAYAJBPH-HNNXBMFYSA-N
XLogP2.36
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-[(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-[(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
N-(furan-2-ylmethyl)-2-[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124912511
5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131644489
(7R)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124807924
N-[2-[5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863842
[(7R)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-piperidin-1-ylmethanone
CID 124807668
5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141619
(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-[[(7R)-5-[(3-methylthiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]furan-2-carboxamide
CID 124912648

Frequently Asked Questions

What is the IUPAC name of [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone (CID 124912480) is [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone is Cc1ccsc1CN1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1.
What is the InChIKey of [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone?
The InChIKey is LBDSEYYAYAJBPH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-5-9-24-16(13)12-19-10-14-4-6-18-21(14)15(11-19)17(22)20-7-2-3-8-23-20/h4-6,9,15H,2-3,7-8,10-12H2,1H3/t15-/m0/s1.
What are the key properties of [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone?
[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 124912480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).