1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide

C25H25ClN4O2 — CID 58415609

IUPAC1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CCC2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)C1
InChIInChI=1S/C25H25ClN4O2/c26-19-9-7-18(8-10-19)25(12-11-22(31)29-14-3-4-17(16-29)23(27)32)21-6-2-1-5-20(21)24-28-13-15-30(24)25/h1-2,5-10,13,15,17H,3-4,11-12,14,16H2,(H2,27,32)
InChIKeyVIBABXHSMOEOLK-UHFFFAOYSA-N
MW448.95 g/mol
LogP3.81
Rot. Bonds5

About 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide

1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 58415609) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide
PubChem CID58415609
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CCC2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)C1
InChIInChI=1S/C25H25ClN4O2/c26-19-9-7-18(8-10-19)25(12-11-22(31)29-14-3-4-17(16-29)23(27)32)21-6-2-1-5-20(21)24-28-13-15-30(24)25/h1-2,5-10,13,15,17H,3-4,11-12,14,16H2,(H2,27,32)
InChIKeyVIBABXHSMOEOLK-UHFFFAOYSA-N
XLogP3.81
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide 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

1-[4-(azetidin-1-ylmethyl)piperidin-1-yl]-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415443
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 58415614
1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 46204641
1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 70885230
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]propan-1-one
CID 58415496
(5R)-5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-ol
CID 71737853
1-(3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl)-2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethanone
CID 46203031
(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172908612
(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95293794
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
(3S)-1-[2-(3-bromo-2-chloro-4-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172675086

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide (CID 58415609) is 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CCC2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)C1.
What is the InChIKey of 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide?
The InChIKey is VIBABXHSMOEOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-19-9-7-18(8-10-19)25(12-11-22(31)29-14-3-4-17(16-29)23(27)32)21-6-2-1-5-20(21)24-28-13-15-30(24)25/h1-2,5-10,13,15,17H,3-4,11-12,14,16H2,(H2,27,32).
What are the key properties of 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide?
1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 58415609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).