3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one

C24H29N5O3 — CID 59262471

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1
InChIInChI=1S/C24H29N5O3/c1-16(30)28-9-7-17(8-10-28)15-29-22(31)24(2,27-23(29)25)20-6-4-5-18(11-20)19-12-21(32-3)14-26-13-19/h4-6,11-14,17H,7-10,15H2,1-3H3,(H2,25,27)
InChIKeyCAPLINPVVHIVMM-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.39
Rot. Bonds5

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one (PubChem CID 59262471) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one
PubChem CID59262471
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1
InChIInChI=1S/C24H29N5O3/c1-16(30)28-9-7-17(8-10-28)15-29-22(31)24(2,27-23(29)25)20-6-4-5-18(11-20)19-12-21(32-3)14-26-13-19/h4-6,11-14,17H,7-10,15H2,1-3H3,(H2,25,27)
InChIKeyCAPLINPVVHIVMM-UHFFFAOYSA-N
XLogP2.39
TPSA101.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one (CID 59262471) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one is COc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one?
The InChIKey is CAPLINPVVHIVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16(30)28-9-7-17(8-10-28)15-29-22(31)24(2,27-23(29)25)20-6-4-5-18(11-20)19-12-21(32-3)14-26-13-19/h4-6,11-14,17H,7-10,15H2,1-3H3,(H2,25,27).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one has a molecular weight of 435.53 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one is sourced from PubChem (CID 59262471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).