phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C22H25N5O — CID 10499712

IUPACphenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H25N5O/c28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27/h1-9,12-13,18,23H,10-11,14-17H2
InChIKeyIAIMCUOEZFUZNY-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.91
Rot. Bonds6

About phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10499712) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10499712
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Namephenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C22H25N5O/c28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27/h1-9,12-13,18,23H,10-11,14-17H2
InChIKeyIAIMCUOEZFUZNY-UHFFFAOYSA-N
XLogP2.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10499712) is phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.
What is the InChIKey of phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is IAIMCUOEZFUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(19-6-2-1-3-7-19)26-14-10-18(11-15-26)16-23-17-20-8-4-9-21(25-20)27-13-5-12-24-27/h1-9,12-13,18,23H,10-11,14-17H2.
What are the key properties of phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 375.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10499712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).