2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide

C16H22N4O2S — CID 124814050

IUPAC2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
SMILESCOCC(=O)NC[C@H]1CN(Cc2ccc(C)s2)Cc2ccnn21
InChIInChI=1S/C16H22N4O2S/c1-12-3-4-15(23-12)10-19-8-13-5-6-18-20(13)14(9-19)7-17-16(21)11-22-2/h3-6,14H,7-11H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyKKSUBAIGONATGX-AWEZNQCLSA-N
MW334.45 g/mol
LogP1.57
Rot. Bonds6

About 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide

2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide (PubChem CID 124814050) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
PubChem CID124814050
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide
SMILESCOCC(=O)NC[C@H]1CN(Cc2ccc(C)s2)Cc2ccnn21
InChIInChI=1S/C16H22N4O2S/c1-12-3-4-15(23-12)10-19-8-13-5-6-18-20(13)14(9-19)7-17-16(21)11-22-2/h3-6,14H,7-11H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyKKSUBAIGONATGX-AWEZNQCLSA-N
XLogP1.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide
CID 124812217
3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea
CID 131677971
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
N-[[5-[(4-chlorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 131663081
1,1-dimethyl-3-[[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]urea
CID 131677884
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
N-[(3S,5S)-5-(hydroxymethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-2-methoxyacetamide
CID 71687101
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-[[(7R)-5-(1,3-benzodioxol-5-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 124789770
2-methoxy-N-[[(5S)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 124802447
N-[[5-[(3,4-difluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 131656327
N-methyl-2-[5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155860747

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide (CID 124814050) is 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide is COCC(=O)NC[C@H]1CN(Cc2ccc(C)s2)Cc2ccnn21.
What is the InChIKey of 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide?
The InChIKey is KKSUBAIGONATGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-3-4-15(23-12)10-19-8-13-5-6-18-20(13)14(9-19)7-17-16(21)11-22-2/h3-6,14H,7-11H2,1-2H3,(H,17,21)/t14-/m0/s1.
What are the key properties of 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide?
2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide has a molecular weight of 334.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]acetamide is sourced from PubChem (CID 124814050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).