2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole

C17H19N7O — CID 126932952

IUPAC2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
SMILESc1cnn(-c2cc(N3CC4CN(Cc5ncco5)CC4C3)ncn2)c1
InChIInChI=1S/C17H19N7O/c1-2-21-24(4-1)16-6-15(19-12-20-16)23-9-13-7-22(8-14(13)10-23)11-17-18-3-5-25-17/h1-6,12-14H,7-11H2
InChIKeyPVYUFAAEWCHPLY-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.22
Rot. Bonds4

About 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole

2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole (PubChem CID 126932952) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
PubChem CID126932952
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
SMILESc1cnn(-c2cc(N3CC4CN(Cc5ncco5)CC4C3)ncn2)c1
InChIInChI=1S/C17H19N7O/c1-2-21-24(4-1)16-6-15(19-12-20-16)23-9-13-7-22(8-14(13)10-23)11-17-18-3-5-25-17/h1-6,12-14H,7-11H2
InChIKeyPVYUFAAEWCHPLY-UHFFFAOYSA-N
XLogP1.22
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole (CID 126932952) is 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole is c1cnn(-c2cc(N3CC4CN(Cc5ncco5)CC4C3)ncn2)c1.
What is the InChIKey of 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole?
The InChIKey is PVYUFAAEWCHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-2-21-24(4-1)16-6-15(19-12-20-16)23-9-13-7-22(8-14(13)10-23)11-17-18-3-5-25-17/h1-6,12-14H,7-11H2.
What are the key properties of 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole?
2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole has a molecular weight of 337.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126932952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).