3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C24H23N5O3 — CID 58365842

IUPAC3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)nc1
InChIInChI=1S/C24H23N5O3/c1-24(2,3)21-18-19(27-28-21)23(30)29(20(18)15-7-5-11-25-22(15)31-4)14-9-10-16(26-13-14)17-8-6-12-32-17/h5-13,20H,1-4H3,(H,27,28)
InChIKeyXMVKTHNWRJIGOA-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.52
Rot. Bonds4

About 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365842) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365842
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)nc1
InChIInChI=1S/C24H23N5O3/c1-24(2,3)21-18-19(27-28-21)23(30)29(20(18)15-7-5-11-25-22(15)31-4)14-9-10-16(26-13-14)17-8-6-12-32-17/h5-13,20H,1-4H3,(H,27,28)
InChIKeyXMVKTHNWRJIGOA-UHFFFAOYSA-N
XLogP4.52
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365842) is 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)nc1.
What is the InChIKey of 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is XMVKTHNWRJIGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-24(2,3)21-18-19(27-28-21)23(30)29(20(18)15-7-5-11-25-22(15)31-4)14-9-10-16(26-13-14)17-8-6-12-32-17/h5-13,20H,1-4H3,(H,27,28).
What are the key properties of 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 429.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).