[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

C20H25N5O2 — CID 70759189

IUPAC[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(CCn4ccnc4C)CC3)n[nH]2)o1
InChIInChI=1S/C20H25N5O2/c1-14-3-4-19(27-14)17-13-18(23-22-17)20(26)25-10-6-16(7-11-25)5-9-24-12-8-21-15(24)2/h3-4,8,12-13,16H,5-7,9-11H2,1-2H3,(H,22,23)
InChIKeyVYKKPQCYGBZMOZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.43
Rot. Bonds5

About [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 70759189) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID70759189
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(CCn4ccnc4C)CC3)n[nH]2)o1
InChIInChI=1S/C20H25N5O2/c1-14-3-4-19(27-14)17-13-18(23-22-17)20(26)25-10-6-16(7-11-25)5-9-24-12-8-21-15(24)2/h3-4,8,12-13,16H,5-7,9-11H2,1-2H3,(H,22,23)
InChIKeyVYKKPQCYGBZMOZ-UHFFFAOYSA-N
XLogP3.43
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (CID 70759189) is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCC(CCn4ccnc4C)CC3)n[nH]2)o1.
What is the InChIKey of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is VYKKPQCYGBZMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-3-4-19(27-14)17-13-18(23-22-17)20(26)25-10-6-16(7-11-25)5-9-24-12-8-21-15(24)2/h3-4,8,12-13,16H,5-7,9-11H2,1-2H3,(H,22,23).
What are the key properties of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70759189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).