3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C24H22N4O2S — CID 58365983

IUPAC3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)(CO)c1[nH]nc2c1C(c1ccccn1)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C24H22N4O2S/c1-24(2,14-29)22-19-20(26-27-22)23(30)28(21(19)18-5-3-4-11-25-18)17-8-6-15(7-9-17)16-10-12-31-13-16/h3-13,21,29H,14H2,1-2H3,(H,26,27)
InChIKeyAGUGIXYYNHCLBD-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.55
Rot. Bonds5

About 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365983) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365983
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)(CO)c1[nH]nc2c1C(c1ccccn1)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C24H22N4O2S/c1-24(2,14-29)22-19-20(26-27-22)23(30)28(21(19)18-5-3-4-11-25-18)17-8-6-15(7-9-17)16-10-12-31-13-16/h3-13,21,29H,14H2,1-2H3,(H,26,27)
InChIKeyAGUGIXYYNHCLBD-UHFFFAOYSA-N
XLogP4.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365983) is 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CC(C)(CO)c1[nH]nc2c1C(c1ccccn1)N(c1ccc(-c3ccsc3)cc1)C2=O.
What is the InChIKey of 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is AGUGIXYYNHCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-24(2,14-29)22-19-20(26-27-22)23(30)28(21(19)18-5-3-4-11-25-18)17-8-6-15(7-9-17)16-10-12-31-13-16/h3-13,21,29H,14H2,1-2H3,(H,26,27).
What are the key properties of 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 430.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-methylpropan-2-yl)-4-pyridin-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).