8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H30ClN5O — CID 121442236

IUPAC8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C28H30ClN5O/c1-3-25-26(34-14-4-5-24(29)27(34)31-25)28(35)30-19-21-8-12-23(13-9-21)33-17-15-32(16-18-33)22-10-6-20(2)7-11-22/h4-14H,3,15-19H2,1-2H3,(H,30,35)
InChIKeyYEZMZKRXLITLMA-UHFFFAOYSA-N
MW488.04 g/mol
LogP5.12
Rot. Bonds6

About 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 121442236) has the molecular formula C28H30ClN5O and a molecular weight of 488.04 g/mol. Its IUPAC name is 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID121442236
Molecular FormulaC28H30ClN5O
Molecular Weight488.04 g/mol
Exact Mass487.21
IUPAC Name8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C28H30ClN5O/c1-3-25-26(34-14-4-5-24(29)27(34)31-25)28(35)30-19-21-8-12-23(13-9-21)33-17-15-32(16-18-33)22-10-6-20(2)7-11-22/h4-14H,3,15-19H2,1-2H3,(H,30,35)
InChIKeyYEZMZKRXLITLMA-UHFFFAOYSA-N
XLogP5.12
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.04
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 121442236) is 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2c(Cl)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YEZMZKRXLITLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O/c1-3-25-26(34-14-4-5-24(29)27(34)31-25)28(35)30-19-21-8-12-23(13-9-21)33-17-15-32(16-18-33)22-10-6-20(2)7-11-22/h4-14H,3,15-19H2,1-2H3,(H,30,35).
What are the key properties of 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 488.04 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121442236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).