[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone

C21H18N6O — CID 90501607

IUPAC[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone
SMILESCc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cnccn2)C3)cc1
InChIInChI=1S/C21H18N6O/c1-15-4-6-16(7-5-15)27-20(25-10-2-3-11-25)17-13-26(14-19(17)24-27)21(28)18-12-22-8-9-23-18/h2-12H,13-14H2,1H3
InChIKeyCMOQTBCUQVUGPX-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.92
Rot. Bonds3

About [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone

[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone (PubChem CID 90501607) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone
PubChem CID90501607
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone
SMILESCc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cnccn2)C3)cc1
InChIInChI=1S/C21H18N6O/c1-15-4-6-16(7-5-15)27-20(25-10-2-3-11-25)17-13-26(14-19(17)24-27)21(28)18-12-22-8-9-23-18/h2-12H,13-14H2,1H3
InChIKeyCMOQTBCUQVUGPX-UHFFFAOYSA-N
XLogP2.92
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone (CID 90501607) is [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone is Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cnccn2)C3)cc1.
What is the InChIKey of [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is CMOQTBCUQVUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-15-4-6-16(7-5-15)27-20(25-10-2-3-11-25)17-13-26(14-19(17)24-27)21(28)18-12-22-8-9-23-18/h2-12H,13-14H2,1H3.
What are the key properties of [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone?
[2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 370.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 90501607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).