2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C19H24N8 — CID 126933002

IUPAC2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCn1cncc1CCN1CC2CN(c3cc(-n4cccn4)ncn3)CC2C1
InChIInChI=1S/C19H24N8/c1-24-14-20-8-17(24)3-6-25-9-15-11-26(12-16(15)10-25)18-7-19(22-13-21-18)27-5-2-4-23-27/h2,4-5,7-8,13-16H,3,6,9-12H2,1H3
InChIKeyGVFKECZDFGQYCI-UHFFFAOYSA-N
MW364.46 g/mol
LogP1.01
Rot. Bonds5

About 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933002) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126933002
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCn1cncc1CCN1CC2CN(c3cc(-n4cccn4)ncn3)CC2C1
InChIInChI=1S/C19H24N8/c1-24-14-20-8-17(24)3-6-25-9-15-11-26(12-16(15)10-25)18-7-19(22-13-21-18)27-5-2-4-23-27/h2,4-5,7-8,13-16H,3,6,9-12H2,1H3
InChIKeyGVFKECZDFGQYCI-UHFFFAOYSA-N
XLogP1.01
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-5-[2-[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-1,3-oxazole
CID 126932994
2-(2-piperidin-1-ylethyl)-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932911
2-[2-(4-methylpyrazol-1-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933012
2-(1,4-dioxepan-6-ylmethyl)-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933023
5-propan-2-yl-2-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932905
5-(1-methylpyrazol-4-yl)sulfonyl-2-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932945
2-[2-(2-methylpyrazol-3-yl)ethyl]-5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931844
2-(6-pyrazol-1-ylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932901
2-(2-methyl-1,3-thiazol-5-yl)-1-[2-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 126932865
1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one
CID 126932752
[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 121168758
4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163349499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933002) is 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cn1cncc1CCN1CC2CN(c3cc(-n4cccn4)ncn3)CC2C1.
What is the InChIKey of 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is GVFKECZDFGQYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-24-14-20-8-17(24)3-6-25-9-15-11-26(12-16(15)10-25)18-7-19(22-13-21-18)27-5-2-4-23-27/h2,4-5,7-8,13-16H,3,6,9-12H2,1H3.
What are the key properties of 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 364.46 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylimidazol-4-yl)ethyl]-5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).