3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one

C18H21N7O — CID 166605239

IUPAC3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one
SMILESCc1cc(N2CC3CN(c4ccc(=O)[nH]n4)CC3C2)n2nc(C)cc2n1
InChIInChI=1S/C18H21N7O/c1-11-6-18(25-16(19-11)5-12(2)22-25)24-9-13-7-23(8-14(13)10-24)15-3-4-17(26)21-20-15/h3-6,13-14H,7-10H2,1-2H3,(H,21,26)
InChIKeyUGOOFXLJPIRKHN-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.00
Rot. Bonds2

About 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one

3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one (PubChem CID 166605239) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one
PubChem CID166605239
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one
SMILESCc1cc(N2CC3CN(c4ccc(=O)[nH]n4)CC3C2)n2nc(C)cc2n1
InChIInChI=1S/C18H21N7O/c1-11-6-18(25-16(19-11)5-12(2)22-25)24-9-13-7-23(8-14(13)10-24)15-3-4-17(26)21-20-15/h3-6,13-14H,7-10H2,1-2H3,(H,21,26)
InChIKeyUGOOFXLJPIRKHN-UHFFFAOYSA-N
XLogP1.00
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one (CID 166605239) is 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one is Cc1cc(N2CC3CN(c4ccc(=O)[nH]n4)CC3C2)n2nc(C)cc2n1.
What is the InChIKey of 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one?
The InChIKey is UGOOFXLJPIRKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11-6-18(25-16(19-11)5-12(2)22-25)24-9-13-7-23(8-14(13)10-24)15-3-4-17(26)21-20-15/h3-6,13-14H,7-10H2,1-2H3,(H,21,26).
What are the key properties of 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one?
3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one has a molecular weight of 351.41 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 166605239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).