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

C24H23N5O4 — CID 58365514

IUPAC4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1cccnc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O
InChIInChI=1S/C24H23N5O4/c1-14(2)20-19-21(27-26-20)24(31)29(16-7-5-15(6-8-16)18-9-12-33-28-18)22(19)17-4-3-10-25-23(17)32-13-11-30/h3-10,12,14,22,30H,11,13H2,1-2H3,(H,26,27)
InChIKeyLBTWUUYWXYVXLJ-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.70
Rot. Bonds7

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

4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365514) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-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-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365514
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1cccnc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O
InChIInChI=1S/C24H23N5O4/c1-14(2)20-19-21(27-26-20)24(31)29(16-7-5-15(6-8-16)18-9-12-33-28-18)22(19)17-4-3-10-25-23(17)32-13-11-30/h3-10,12,14,22,30H,11,13H2,1-2H3,(H,26,27)
InChIKeyLBTWUUYWXYVXLJ-UHFFFAOYSA-N
XLogP3.70
TPSA117.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-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-(1,2-oxazol-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-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365514) is 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-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-(1,2-oxazol-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-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CC(C)c1[nH]nc2c1C(c1cccnc1OCCO)N(c1ccc(-c3ccon3)cc1)C2=O.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is LBTWUUYWXYVXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-14(2)20-19-21(27-26-20)24(31)29(16-7-5-15(6-8-16)18-9-12-33-28-18)22(19)17-4-3-10-25-23(17)32-13-11-30/h3-10,12,14,22,30H,11,13H2,1-2H3,(H,26,27).
What are the key properties of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 445.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-5-[4-(1,2-oxazol-3-yl)phenyl]-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).