(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one

C24H28N4O — CID 10620326

IUPAC(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C24H28N4O/c1-3-20(21-7-5-4-6-8-21)15-24(29)27-13-10-19(11-14-27)17-28-18(2)26-22-16-25-12-9-23(22)28/h4-9,12,15-16,19H,3,10-11,13-14,17H2,1-2H3/b20-15+
InChIKeyNOTKEUOJAXVFSD-HMMYKYKNSA-N
MW388.52 g/mol
LogP4.47
Rot. Bonds5

About (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one

(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one (PubChem CID 10620326) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one
PubChem CID10620326
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
InChIInChI=1S/C24H28N4O/c1-3-20(21-7-5-4-6-8-21)15-24(29)27-13-10-19(11-14-27)17-28-18(2)26-22-16-25-12-9-23(22)28/h4-9,12,15-16,19H,3,10-11,13-14,17H2,1-2H3/b20-15+
InChIKeyNOTKEUOJAXVFSD-HMMYKYKNSA-N
XLogP4.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one?
The IUPAC name of (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one (CID 10620326) is (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one.
What is the SMILES notation for (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one?
The canonical SMILES for (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one is CC/C(=C\C(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1.
What is the InChIKey of (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one?
The InChIKey is NOTKEUOJAXVFSD-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-20(21-7-5-4-6-8-21)15-24(29)27-13-10-19(11-14-27)17-28-18(2)26-22-16-25-12-9-23(22)28/h4-9,12,15-16,19H,3,10-11,13-14,17H2,1-2H3/b20-15+.
What are the key properties of (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one?
(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one has a molecular weight of 388.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one is sourced from PubChem (CID 10620326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).