4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C25H24N4O3S — CID 58365357

IUPAC4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1cccnc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C25H24N4O3S/c1-15(2)21-20-22(28-27-21)25(31)29(18-7-5-16(6-8-18)17-9-13-33-14-17)23(20)19-4-3-10-26-24(19)32-12-11-30/h3-10,13-15,23,30H,11-12H2,1-2H3,(H,27,28)
InChIKeyCHIGAIXOKHDICR-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.78
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365357) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365357
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1cccnc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C25H24N4O3S/c1-15(2)21-20-22(28-27-21)25(31)29(18-7-5-16(6-8-18)17-9-13-33-14-17)23(20)19-4-3-10-26-24(19)32-12-11-30/h3-10,13-15,23,30H,11-12H2,1-2H3,(H,27,28)
InChIKeyCHIGAIXOKHDICR-UHFFFAOYSA-N
XLogP4.78
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365357) is 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CC(C)c1[nH]nc2c1C(c1cccnc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is CHIGAIXOKHDICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-15(2)21-20-22(28-27-21)25(31)29(18-7-5-16(6-8-18)17-9-13-33-14-17)23(20)19-4-3-10-26-24(19)32-12-11-30/h3-10,13-15,23,30H,11-12H2,1-2H3,(H,27,28).
What are the key properties of 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 460.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)-3-pyridinyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).