[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

C17H22N4O2S — CID 97389064

IUPAC[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN2Cc3c(C(=O)N4CCOCC4)nn(C)c3C2)s1
InChIInChI=1S/C17H22N4O2S/c1-12-3-4-13(24-12)9-20-10-14-15(11-20)19(2)18-16(14)17(22)21-5-7-23-8-6-21/h3-4H,5-11H2,1-2H3
InChIKeyQDIARPKUGLJLQK-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.78
Rot. Bonds3

About [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone

[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 97389064) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID97389064
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(CN2Cc3c(C(=O)N4CCOCC4)nn(C)c3C2)s1
InChIInChI=1S/C17H22N4O2S/c1-12-3-4-13(24-12)9-20-10-14-15(11-20)19(2)18-16(14)17(22)21-5-7-23-8-6-21/h3-4H,5-11H2,1-2H3
InChIKeyQDIARPKUGLJLQK-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone 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

4-[(5-{1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-2-pyrrolidinyl}-2-thienyl)carbonyl]morpholine
CID 45182980
N,N,1-trimethyl-6-[(5-methylthiophen-2-yl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 97461922
N,N,1-trimethyl-5-(thiophen-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461988
N,N,1-trimethyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461989
[1-Methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 97462001
[1-Methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 97462019
2-(5-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 42285688
N-Cyclopropyl-1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazole-3-carboxamide
CID 124072227
(1,3-Dimethylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 29908400
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 71863733
[1-Methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118743679
[1-Methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118743696

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone (CID 97389064) is [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is Cc1ccc(CN2Cc3c(C(=O)N4CCOCC4)nn(C)c3C2)s1.
What is the InChIKey of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QDIARPKUGLJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-3-4-13(24-12)9-20-10-14-15(11-20)19(2)18-16(14)17(22)21-5-7-23-8-6-21/h3-4H,5-11H2,1-2H3.
What are the key properties of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 346.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97389064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).