[3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C21H24N4O2 — CID 121279678

IUPAC[3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2ccoc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C21H24N4O2/c1-13(2)18-10-20(24-23-18)21(26)25-6-4-15(11-25)19-9-17(8-14(3)22-19)16-5-7-27-12-16/h5,7-10,12-13,15H,4,6,11H2,1-3H3,(H,23,24)
InChIKeyDKUQJFPELDXTEG-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.13
Rot. Bonds4

About [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279678) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279678
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2ccoc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C21H24N4O2/c1-13(2)18-10-20(24-23-18)21(26)25-6-4-15(11-25)19-9-17(8-14(3)22-19)16-5-7-27-12-16/h5,7-10,12-13,15H,4,6,11H2,1-3H3,(H,23,24)
InChIKeyDKUQJFPELDXTEG-UHFFFAOYSA-N
XLogP4.13
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10022354, Example 7
CID 121279570
4-(2-Furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 662731
N'-[(E)-(4-ethoxyphenyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6869471
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-[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
3-Tert-butyl-5-[4-(furan-3-yl)phenyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365837
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
3-Tert-butyl-5-[4-(furan-2-yl)phenyl]-4-[2-(2-hydroxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365869
3-Tert-butyl-5-[4-(furan-2-yl)phenyl]-4-[2-(2-methoxyethoxy)-3-pyridinyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365981

Frequently Asked Questions

What is the IUPAC name of [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279678) is [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cc(-c2ccoc2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is DKUQJFPELDXTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)18-10-20(24-23-18)21(26)25-6-4-15(11-25)19-9-17(8-14(3)22-19)16-5-7-27-12-16/h5,7-10,12-13,15H,4,6,11H2,1-3H3,(H,23,24).
What are the key properties of [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(furan-3-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).