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

C19H23N7O — CID 126932994

IUPAC2-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
SMILESCc1ncc(CCN2CC3CN(c4cc(-n5cccn5)ncn4)CC3C2)o1
InChIInChI=1S/C19H23N7O/c1-14-20-8-17(27-14)3-6-24-9-15-11-25(12-16(15)10-24)18-7-19(22-13-21-18)26-5-2-4-23-26/h2,4-5,7-8,13,15-16H,3,6,9-12H2,1H3
InChIKeyKZGGMAFGKHVKQH-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.57
Rot. Bonds5

About 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

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 (PubChem CID 126932994) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID126932994
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-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
SMILESCc1ncc(CCN2CC3CN(c4cc(-n5cccn5)ncn4)CC3C2)o1
InChIInChI=1S/C19H23N7O/c1-14-20-8-17(27-14)3-6-24-9-15-11-25(12-16(15)10-24)18-7-19(22-13-21-18)26-5-2-4-23-26/h2,4-5,7-8,13,15-16H,3,6,9-12H2,1H3
InChIKeyKZGGMAFGKHVKQH-UHFFFAOYSA-N
XLogP1.57
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[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
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-(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-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
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
(4,4-dimethyl-1,3-oxazolidin-3-yl)-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121168831
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
5-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-methyl-1,2-oxazole
CID 126932787
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(CCN2CC3CN(c4cc(-n5cccn5)ncn4)CC3C2)o1.
What is the InChIKey of 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?
The InChIKey is KZGGMAFGKHVKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14-20-8-17(27-14)3-6-24-9-15-11-25(12-16(15)10-24)18-7-19(22-13-21-18)26-5-2-4-23-26/h2,4-5,7-8,13,15-16H,3,6,9-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 365.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126932994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).