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

C24H23N5O3 — CID 58045150

IUPAC3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cccnc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C24H23N5O3/c1-24(2,3)22-18-20(26-27-22)23(30)29(21(18)19-17(31-4)6-5-12-25-19)15-9-7-14(8-10-15)16-11-13-32-28-16/h5-13,21H,1-4H3,(H,26,27)
InChIKeyKNKOLCJMRMGYBP-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.52
Rot. Bonds4

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

3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58045150) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58045150
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cccnc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C24H23N5O3/c1-24(2,3)22-18-20(26-27-22)23(30)29(21(18)19-17(31-4)6-5-12-25-19)15-9-7-14(8-10-15)16-11-13-32-28-16/h5-13,21H,1-4H3,(H,26,27)
InChIKeyKNKOLCJMRMGYBP-UHFFFAOYSA-N
XLogP4.52
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58045150) is 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1cccnc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is KNKOLCJMRMGYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-24(2,3)22-18-20(26-27-22)23(30)29(21(18)19-17(31-4)6-5-12-25-19)15-9-7-14(8-10-15)16-11-13-32-28-16/h5-13,21H,1-4H3,(H,26,27).
What are the key properties of 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 429.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(3-methoxy-2-pyridinyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58045150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).