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

C24H24N6O4 — CID 58365810

IUPAC4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1nc(-c2ccc(N3C(=O)c4n[nH]c(C(C)C)c4C3c3cccnc3OCCO)cc2)no1
InChIInChI=1S/C24H24N6O4/c1-13(2)19-18-20(28-27-19)24(32)30(21(18)17-5-4-10-25-23(17)33-12-11-31)16-8-6-15(7-9-16)22-26-14(3)34-29-22/h4-10,13,21,31H,11-12H2,1-3H3,(H,27,28)
InChIKeyXFPBYLPQTDYFHA-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.41
Rot. Bonds7

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

4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365810) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365810
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1nc(-c2ccc(N3C(=O)c4n[nH]c(C(C)C)c4C3c3cccnc3OCCO)cc2)no1
InChIInChI=1S/C24H24N6O4/c1-13(2)19-18-20(28-27-19)24(32)30(21(18)17-5-4-10-25-23(17)33-12-11-31)16-8-6-15(7-9-16)22-26-14(3)34-29-22/h4-10,13,21,31H,11-12H2,1-3H3,(H,27,28)
InChIKeyXFPBYLPQTDYFHA-UHFFFAOYSA-N
XLogP3.41
TPSA130.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365810) is 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1nc(-c2ccc(N3C(=O)c4n[nH]c(C(C)C)c4C3c3cccnc3OCCO)cc2)no1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is XFPBYLPQTDYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-13(2)19-18-20(28-27-19)24(32)30(21(18)17-5-4-10-25-23(17)33-12-11-31)16-8-6-15(7-9-16)22-26-14(3)34-29-22/h4-10,13,21,31H,11-12H2,1-3H3,(H,27,28).
What are the key properties of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 460.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).