6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

C29H38ClN5O — CID 155533588

IUPAC6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(CCC3CCCCC3)CC2)cc1
InChIInChI=1S/C29H38ClN5O/c1-2-26-28(35-21-24(30)10-13-27(35)32-26)29(36)31-20-23-8-11-25(12-9-23)34-18-16-33(17-19-34)15-14-22-6-4-3-5-7-22/h8-13,21-22H,2-7,14-20H2,1H3,(H,31,36)
InChIKeySECSVJXOSSXEIW-UHFFFAOYSA-N
MW508.11 g/mol
LogP5.57
Rot. Bonds8

About 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155533588) has the molecular formula C29H38ClN5O and a molecular weight of 508.11 g/mol. Its IUPAC name is 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155533588
Molecular FormulaC29H38ClN5O
Molecular Weight508.11 g/mol
Exact Mass507.28
IUPAC Name6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(CCC3CCCCC3)CC2)cc1
InChIInChI=1S/C29H38ClN5O/c1-2-26-28(35-21-24(30)10-13-27(35)32-26)29(36)31-20-23-8-11-25(12-9-23)34-18-16-33(17-19-34)15-14-22-6-4-3-5-7-22/h8-13,21-22H,2-7,14-20H2,1H3,(H,31,36)
InChIKeySECSVJXOSSXEIW-UHFFFAOYSA-N
XLogP5.57
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.11
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-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

Saripidem
CID 3058746
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
N-[[4-[[(2S)-4-cyclohexyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155568238
1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Imidazopyridine 18d
CID 5329354
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
Ldn-211904 oxalate
CID 46882744
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenyl-acetamide
CID 11328255
4-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 46899593
1-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)-2-(pyridin-3-ylamino)ethanone
CID 46899937

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 155533588) is 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(CCC3CCCCC3)CC2)cc1.
What is the InChIKey of 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SECSVJXOSSXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38ClN5O/c1-2-26-28(35-21-24(30)10-13-27(35)32-26)29(36)31-20-23-8-11-25(12-9-23)34-18-16-33(17-19-34)15-14-22-6-4-3-5-7-22/h8-13,21-22H,2-7,14-20H2,1H3,(H,31,36).
What are the key properties of 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 508.11 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155533588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).