4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine

C25H26N4O — CID 25286681

IUPAC4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
SMILESCOc1ccc2cc(-c3[nH]ncc3CN3CCC(c4ccncc4)CC3)ccc2c1
InChIInChI=1S/C25H26N4O/c1-30-24-5-4-20-14-22(3-2-21(20)15-24)25-23(16-27-28-25)17-29-12-8-19(9-13-29)18-6-10-26-11-7-18/h2-7,10-11,14-16,19H,8-9,12-13,17H2,1H3,(H,27,28)
InChIKeyBHHDSICRVAYHGS-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.01
Rot. Bonds5

About 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine

4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine (PubChem CID 25286681) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
PubChem CID25286681
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
SMILESCOc1ccc2cc(-c3[nH]ncc3CN3CCC(c4ccncc4)CC3)ccc2c1
InChIInChI=1S/C25H26N4O/c1-30-24-5-4-20-14-22(3-2-21(20)15-24)25-23(16-27-28-25)17-29-12-8-19(9-13-29)18-6-10-26-11-7-18/h2-7,10-11,14-16,19H,8-9,12-13,17H2,1H3,(H,27,28)
InChIKeyBHHDSICRVAYHGS-UHFFFAOYSA-N
XLogP5.01
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine (CID 25286681) is 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine is COc1ccc2cc(-c3[nH]ncc3CN3CCC(c4ccncc4)CC3)ccc2c1.
What is the InChIKey of 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine?
The InChIKey is BHHDSICRVAYHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-30-24-5-4-20-14-22(3-2-21(20)15-24)25-23(16-27-28-25)17-29-12-8-19(9-13-29)18-6-10-26-11-7-18/h2-7,10-11,14-16,19H,8-9,12-13,17H2,1H3,(H,27,28).
What are the key properties of 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine?
4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine has a molecular weight of 398.51 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 25286681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).