3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one

C28H27FN4O3 — CID 42782888

IUPAC3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
SMILESCc1cccc2ncc(C(CC(=O)N3CCN(c4ccccc4F)CC3)c3ccc4c(c3)OCO4)n12
InChIInChI=1S/C28H27FN4O3/c1-19-5-4-8-27-30-17-24(33(19)27)21(20-9-10-25-26(15-20)36-18-35-25)16-28(34)32-13-11-31(12-14-32)23-7-3-2-6-22(23)29/h2-10,15,17,21H,11-14,16,18H2,1H3
InChIKeyBVQZIKZQBBHBTA-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.38
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one

3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (PubChem CID 42782888) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
PubChem CID42782888
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
SMILESCc1cccc2ncc(C(CC(=O)N3CCN(c4ccccc4F)CC3)c3ccc4c(c3)OCO4)n12
InChIInChI=1S/C28H27FN4O3/c1-19-5-4-8-27-30-17-24(33(19)27)21(20-9-10-25-26(15-20)36-18-35-25)16-28(34)32-13-11-31(12-14-32)23-7-3-2-6-22(23)29/h2-10,15,17,21H,11-14,16,18H2,1H3
InChIKeyBVQZIKZQBBHBTA-UHFFFAOYSA-N
XLogP4.38
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-(6-fluoropyridin-2-yl)-2-piperazineacetamide
CID 16115113
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 56955086
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-(phenylmethyl)-2-piperazineacetamide
CID 16114867
2-((R)-4-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl)-1-isobutyrylpiperazin-2-yl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide
CID 16115744
3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 16116043
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-[(3R)-1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 44280723
Methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 4318279
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]-2-piperidineacetamide
CID 16115606
N-[(1,3-benzodioxol-5-yl)methyl]-4-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-(methylcarbonyl)-2-piperazineacetamide
CID 16115610

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (CID 42782888) is 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is Cc1cccc2ncc(C(CC(=O)N3CCN(c4ccccc4F)CC3)c3ccc4c(c3)OCO4)n12.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The InChIKey is BVQZIKZQBBHBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-19-5-4-8-27-30-17-24(33(19)27)21(20-9-10-25-26(15-20)36-18-35-25)16-28(34)32-13-11-31(12-14-32)23-7-3-2-6-22(23)29/h2-10,15,17,21H,11-14,16,18H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one has a molecular weight of 486.55 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 42782888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).