4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C26H19N5O3 — CID 58045088

IUPAC4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(-c3cccnc3)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C26H19N5O3/c1-33-21-7-3-2-6-19(21)25-22-23(17-5-4-13-27-15-17)28-29-24(22)26(32)31(25)18-10-8-16(9-11-18)20-12-14-34-30-20/h2-15,25H,1H3,(H,28,29)
InChIKeyLUVWMCGBEPFWOB-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.89
Rot. Bonds5

About 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 58045088) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID58045088
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC Name4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(-c3cccnc3)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C26H19N5O3/c1-33-21-7-3-2-6-19(21)25-22-23(17-5-4-13-27-15-17)28-29-24(22)26(32)31(25)18-10-8-16(9-11-18)20-12-14-34-30-20/h2-15,25H,1H3,(H,28,29)
InChIKeyLUVWMCGBEPFWOB-UHFFFAOYSA-N
XLogP4.89
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 58045088) is 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccccc1C1c2c(-c3cccnc3)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is LUVWMCGBEPFWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O3/c1-33-21-7-3-2-6-19(21)25-22-23(17-5-4-13-27-15-17)28-29-24(22)26(32)31(25)18-10-8-16(9-11-18)20-12-14-34-30-20/h2-15,25H,1H3,(H,28,29).
What are the key properties of 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 449.47 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 58045088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).