5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine

C22H32N4O — CID 155548619

IUPAC5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine
SMILESCOC1CCN(Cc2cc(-c3ccc(C)nc3)n(C3CCCCC3)n2)CC1
InChIInChI=1S/C22H32N4O/c1-17-8-9-18(15-23-17)22-14-19(16-25-12-10-21(27-2)11-13-25)24-26(22)20-6-4-3-5-7-20/h8-9,14-15,20-21H,3-7,10-13,16H2,1-2H3
InChIKeyRFNPVVLDPCWOES-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.37
Rot. Bonds5

About 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine

5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine (PubChem CID 155548619) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine
PubChem CID155548619
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine
SMILESCOC1CCN(Cc2cc(-c3ccc(C)nc3)n(C3CCCCC3)n2)CC1
InChIInChI=1S/C22H32N4O/c1-17-8-9-18(15-23-17)22-14-19(16-25-12-10-21(27-2)11-13-25)24-26(22)20-6-4-3-5-7-20/h8-9,14-15,20-21H,3-7,10-13,16H2,1-2H3
InChIKeyRFNPVVLDPCWOES-UHFFFAOYSA-N
XLogP4.37
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine?
The IUPAC name of 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine (CID 155548619) is 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine.
What is the SMILES notation for 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine?
The canonical SMILES for 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine is COC1CCN(Cc2cc(-c3ccc(C)nc3)n(C3CCCCC3)n2)CC1.
What is the InChIKey of 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine?
The InChIKey is RFNPVVLDPCWOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17-8-9-18(15-23-17)22-14-19(16-25-12-10-21(27-2)11-13-25)24-26(22)20-6-4-3-5-7-20/h8-9,14-15,20-21H,3-7,10-13,16H2,1-2H3.
What are the key properties of 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine?
5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine has a molecular weight of 368.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclohexyl-3-[(4-methoxypiperidin-1-yl)methyl]pyrazol-5-yl]-2-methylpyridine is sourced from PubChem (CID 155548619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).