3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C26H26N4O3 — CID 58365347

IUPAC3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C26H26N4O3/c1-26(2,15-31)24-21-22(28-29-24)25(32)30(23(21)19-6-4-5-7-20(19)33-3)18-10-8-16(9-11-18)17-12-13-27-14-17/h4-14,23,27,31H,15H2,1-3H3,(H,28,29)
InChIKeyMESOWKYWFARCJO-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.43
Rot. Bonds6

About 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365347) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365347
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C26H26N4O3/c1-26(2,15-31)24-21-22(28-29-24)25(32)30(23(21)19-6-4-5-7-20(19)33-3)18-10-8-16(9-11-18)17-12-13-27-14-17/h4-14,23,27,31H,15H2,1-3H3,(H,28,29)
InChIKeyMESOWKYWFARCJO-UHFFFAOYSA-N
XLogP4.43
TPSA94.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365347) is 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cc[nH]c2)cc1.
What is the InChIKey of 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is MESOWKYWFARCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-26(2,15-31)24-21-22(28-29-24)25(32)30(23(21)19-6-4-5-7-20(19)33-3)18-10-8-16(9-11-18)17-12-13-27-14-17/h4-14,23,27,31H,15H2,1-3H3,(H,28,29).
What are the key properties of 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 442.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1H-pyrrol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).