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

C25H25N5O3 — CID 58365629

IUPAC3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cc(C)no2)cc1
InChIInChI=1S/C25H25N5O3/c1-14-13-18(33-29-14)15-8-10-16(11-9-15)30-21(17-7-6-12-26-23(17)32-5)19-20(24(30)31)27-28-22(19)25(2,3)4/h6-13,21H,1-5H3,(H,27,28)
InChIKeyQDQNBHXVLBPGGG-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.82
Rot. Bonds4

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

3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365629) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365629
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cc(C)no2)cc1
InChIInChI=1S/C25H25N5O3/c1-14-13-18(33-29-14)15-8-10-16(11-9-15)30-21(17-7-6-12-26-23(17)32-5)19-20(24(30)31)27-28-22(19)25(2,3)4/h6-13,21H,1-5H3,(H,27,28)
InChIKeyQDQNBHXVLBPGGG-UHFFFAOYSA-N
XLogP4.82
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-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-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365629) is 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-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-(3-methyl-1,2-oxazol-5-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-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cc(C)no2)cc1.
What is the InChIKey of 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is QDQNBHXVLBPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-14-13-18(33-29-14)15-8-10-16(11-9-15)30-21(17-7-6-12-26-23(17)32-5)19-20(24(30)31)27-28-22(19)25(2,3)4/h6-13,21H,1-5H3,(H,27,28).
What are the key properties of 3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-4-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 443.51 g/mol, XLogP of 4.82, 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-(2-methoxy-3-pyridinyl)-5-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).