3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C24H24N6O3 — CID 58366096

IUPAC3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-13-26-21(29-33-13)14-8-10-15(11-9-14)30-19(16-7-6-12-25-22(16)32-5)17-18(23(30)31)27-28-20(17)24(2,3)4/h6-12,19H,1-5H3,(H,27,28)
InChIKeyAKXTXVFUHJCOLA-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.22
Rot. Bonds4

About 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58366096) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58366096
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-13-26-21(29-33-13)14-8-10-15(11-9-14)30-19(16-7-6-12-25-22(16)32-5)17-18(23(30)31)27-28-20(17)24(2,3)4/h6-12,19H,1-5H3,(H,27,28)
InChIKeyAKXTXVFUHJCOLA-UHFFFAOYSA-N
XLogP4.22
TPSA110.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58366096) is 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2noc(C)n2)cc1.
What is the InChIKey of 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is AKXTXVFUHJCOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-13-26-21(29-33-13)14-8-10-15(11-9-14)30-19(16-7-6-12-25-22(16)32-5)17-18(23(30)31)27-28-20(17)24(2,3)4/h6-12,19H,1-5H3,(H,27,28).
What are the key properties of 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 444.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58366096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).