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

C25H24N4O4 — CID 58366026

IUPAC5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccoc2)cn1
InChIInChI=1S/C25H24N4O4/c1-25(2,14-30)23-20-21(27-28-23)24(31)29(22(20)17-6-4-5-7-18(17)32-3)19-9-8-15(12-26-19)16-10-11-33-13-16/h4-13,22,30H,14H2,1-3H3,(H,27,28)
InChIKeyIALCMYQRORYJCE-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.09
Rot. Bonds6

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

5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58366026) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58366026
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccoc2)cn1
InChIInChI=1S/C25H24N4O4/c1-25(2,14-30)23-20-21(27-28-23)24(31)29(22(20)17-6-4-5-7-18(17)32-3)19-9-8-15(12-26-19)16-10-11-33-13-16/h4-13,22,30H,14H2,1-3H3,(H,27,28)
InChIKeyIALCMYQRORYJCE-UHFFFAOYSA-N
XLogP4.09
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58366026) is 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccoc2)cn1.
What is the InChIKey of 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is IALCMYQRORYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-25(2,14-30)23-20-21(27-28-23)24(31)29(22(20)17-6-4-5-7-18(17)32-3)19-9-8-15(12-26-19)16-10-11-33-13-16/h4-13,22,30H,14H2,1-3H3,(H,27,28).
What are the key properties of 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 444.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(furan-3-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58366026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).