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

C18H25N5OS — CID 97462019

IUPAC[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(CN2Cc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)s1
InChIInChI=1S/C18H25N5OS/c1-13-4-5-14(25-13)10-22-11-15-16(12-22)21(3)19-17(15)18(24)23-8-6-20(2)7-9-23/h4-5H,6-12H2,1-3H3
InChIKeyQUVOMLJYVAENQB-UHFFFAOYSA-N
MW359.50 g/mol
LogP1.69
Rot. Bonds3

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

[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 97462019) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID97462019
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(CN2Cc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)s1
InChIInChI=1S/C18H25N5OS/c1-13-4-5-14(25-13)10-22-11-15-16(12-22)21(3)19-17(15)18(24)23-8-6-20(2)7-9-23/h4-5H,6-12H2,1-3H3
InChIKeyQUVOMLJYVAENQB-UHFFFAOYSA-N
XLogP1.69
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.69
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]-(4-methylpiperazin-1-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

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]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 97462019) is [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(CN2Cc3c(C(=O)N4CCN(C)CC4)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]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QUVOMLJYVAENQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-4-5-14(25-13)10-22-11-15-16(12-22)21(3)19-17(15)18(24)23-8-6-20(2)7-9-23/h4-5H,6-12H2,1-3H3.
What are the key properties of [1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-methyl-5-[(5-methylthiophen-2-yl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 359.50 g/mol, XLogP of 1.69, 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]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97462019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).