[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone

C18H19N5O2 — CID 97405317

IUPAC[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)cc1
InChIInChI=1S/C18H19N5O2/c1-21-17-11-23(18(24)13-3-5-14(25-2)6-4-13)9-15(17)16(20-21)10-22-8-7-19-12-22/h3-8,12H,9-11H2,1-2H3
InChIKeyMVWKBLZJXGVMLM-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.83
Rot. Bonds4

About [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone

[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 97405317) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone
PubChem CID97405317
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)cc1
InChIInChI=1S/C18H19N5O2/c1-21-17-11-23(18(24)13-3-5-14(25-2)6-4-13)9-15(17)16(20-21)10-22-8-7-19-12-22/h3-8,12H,9-11H2,1-2H3
InChIKeyMVWKBLZJXGVMLM-UHFFFAOYSA-N
XLogP1.83
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)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 [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone (CID 97405317) is [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2Cc3c(Cn4ccnc4)nn(C)c3C2)cc1.
What is the InChIKey of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is MVWKBLZJXGVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-21-17-11-23(18(24)13-3-5-14(25-2)6-4-13)9-15(17)16(20-21)10-22-8-7-19-12-22/h3-8,12H,9-11H2,1-2H3.
What are the key properties of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone?
[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 337.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 97405317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).