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

C25H24N4O4 — CID 58365445

IUPAC5-[5-(furan-2-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(-c2ccco2)cn1
InChIInChI=1S/C25H24N4O4/c1-25(2,14-30)23-20-21(27-28-23)24(31)29(22(20)16-7-4-5-8-18(16)32-3)19-11-10-15(13-26-19)17-9-6-12-33-17/h4-13,22,30H,14H2,1-3H3,(H,27,28)
InChIKeyRQTQJXFACSGKJS-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.09
Rot. Bonds6

About 5-[5-(furan-2-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-2-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365445) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 5-[5-(furan-2-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-2-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365445
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name5-[5-(furan-2-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(-c2ccco2)cn1
InChIInChI=1S/C25H24N4O4/c1-25(2,14-30)23-20-21(27-28-23)24(31)29(22(20)16-7-4-5-8-18(16)32-3)19-11-10-15(13-26-19)17-9-6-12-33-17/h4-13,22,30H,14H2,1-3H3,(H,27,28)
InChIKeyRQTQJXFACSGKJS-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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Related Compounds

N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(2-furyl)-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-1H-pyrazole-4-carboxamide
CID 45167455
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(pyridin-2-ylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76325437
4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-4-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 135546777
3-(1-Hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-(5-thiophen-3-yl-2-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365315
5-(5-Bromo-2-pyridinyl)-3-tert-butyl-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365322
3-Tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365372
3-Tert-butyl-5-[4-(furan-3-yl)phenyl]-4-[2-(2-hydroxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365382
3-Tert-butyl-5-[5-(furan-2-yl)-2-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365599
3-Tert-butyl-5-[5-(furan-3-yl)-2-pyridinyl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365610
3-Tert-butyl-5-[6-(furan-3-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365675
5-[4-(Furan-2-yl)phenyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365683
3-Tert-butyl-5-[6-(furan-3-yl)-3-pyridinyl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365747

Frequently Asked Questions

What is the IUPAC name of 5-[5-(furan-2-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-2-yl)-2-pyridinyl]-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365445) is 5-[5-(furan-2-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-2-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-2-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(-c2ccco2)cn1.
What is the InChIKey of 5-[5-(furan-2-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 RQTQJXFACSGKJS-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)16-7-4-5-8-18(16)32-3)19-11-10-15(13-26-19)17-9-6-12-33-17/h4-13,22,30H,14H2,1-3H3,(H,27,28).
What are the key properties of 5-[5-(furan-2-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-2-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-2-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 58365445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).