2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide

C32H35N5O2 — CID 67106927

IUPAC2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
SMILESCCc1cccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C5CCCC5)cc5ccccn45)cc3)CC2)n1
InChIInChI=1S/C32H35N5O2/c1-2-24-10-7-12-29(33-24)36-20-18-35(19-21-36)26-15-13-25(14-16-26)34-32(39)31(38)30-28(23-8-3-4-9-23)22-27-11-5-6-17-37(27)30/h5-7,10-17,22-23H,2-4,8-9,18-21H2,1H3,(H,34,39)
InChIKeyWMXCLMMRPFOFBJ-UHFFFAOYSA-N
MW521.67 g/mol
LogP5.70
Rot. Bonds7

About 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide

2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide (PubChem CID 67106927) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
PubChem CID67106927
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC Name2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
SMILESCCc1cccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C5CCCC5)cc5ccccn45)cc3)CC2)n1
InChIInChI=1S/C32H35N5O2/c1-2-24-10-7-12-29(33-24)36-20-18-35(19-21-36)26-15-13-25(14-16-26)34-32(39)31(38)30-28(23-8-3-4-9-23)22-27-11-5-6-17-37(27)30/h5-7,10-17,22-23H,2-4,8-9,18-21H2,1H3,(H,34,39)
InChIKeyWMXCLMMRPFOFBJ-UHFFFAOYSA-N
XLogP5.70
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-(2-cyclohexylindolizin-3-yl)-N-[4-[4-(4,6-dimethyl-2-pyridinyl)-1,4-diazepan-1-yl]phenyl]-2-oxoacetamide
CID 67107495
N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide
CID 67106949
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24997918
2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 25121318
2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 25121317
N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
CID 67326733
N-[2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106374
N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-(methoxymethyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24998551
2-[1-[2-(dimethylamino)ethyl]-3-phenylpyrrol-2-yl]-N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 66914873
N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-[1-(methoxymethyl)-3-phenylpyrrol-2-yl]-2-oxoacetamide
CID 66914698
3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]benzoic acid
CID 68828260
ethyl 2-[2-[2-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]anilino]-2-oxoacetyl]-5-methyl-3-phenylpyrrol-1-yl]acetate
CID 66914978

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide?
The IUPAC name of 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide (CID 67106927) is 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide is CCc1cccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C5CCCC5)cc5ccccn45)cc3)CC2)n1.
What is the InChIKey of 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide?
The InChIKey is WMXCLMMRPFOFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-2-24-10-7-12-29(33-24)36-20-18-35(19-21-36)26-15-13-25(14-16-26)34-32(39)31(38)30-28(23-8-3-4-9-23)22-27-11-5-6-17-37(27)30/h5-7,10-17,22-23H,2-4,8-9,18-21H2,1H3,(H,34,39).
What are the key properties of 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide?
2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide has a molecular weight of 521.67 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylindolizin-3-yl)-N-[4-[4-(6-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide is sourced from PubChem (CID 67106927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).