[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C23H24N4O2 — CID 45220394

IUPAC[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)C1CCN(Cc2cn[nH]c2-c2cc3ccccc3o2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(19-6-3-4-10-24-19)16-8-11-27(12-9-16)15-18-14-25-26-22(18)21-13-17-5-1-2-7-20(17)29-21/h1-7,10,13-14,16,23,28H,8-9,11-12,15H2,(H,25,26)
InChIKeyLGDOSXPNUGCRNN-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.16
Rot. Bonds5

About [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol

[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 45220394) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID45220394
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)C1CCN(Cc2cn[nH]c2-c2cc3ccccc3o2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(19-6-3-4-10-24-19)16-8-11-27(12-9-16)15-18-14-25-26-22(18)21-13-17-5-1-2-7-20(17)29-21/h1-7,10,13-14,16,23,28H,8-9,11-12,15H2,(H,25,26)
InChIKeyLGDOSXPNUGCRNN-UHFFFAOYSA-N
XLogP4.16
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 45220394) is [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol is OC(c1ccccn1)C1CCN(Cc2cn[nH]c2-c2cc3ccccc3o2)CC1.
What is the InChIKey of [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is LGDOSXPNUGCRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(19-6-3-4-10-24-19)16-8-11-27(12-9-16)15-18-14-25-26-22(18)21-13-17-5-1-2-7-20(17)29-21/h1-7,10,13-14,16,23,28H,8-9,11-12,15H2,(H,25,26).
What are the key properties of [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 388.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 45220394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).