6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

C28H28BrClN4O — CID 90480323

IUPAC6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C28H28BrClN4O/c1-2-25-27(34-18-22(29)7-12-26(34)32-25)28(35)31-17-19-3-10-24(11-4-19)33-15-13-21(14-16-33)20-5-8-23(30)9-6-20/h3-12,18,21H,2,13-17H2,1H3,(H,31,35)
InChIKeyGOJIRCXGCXSSHF-UHFFFAOYSA-N
MW551.92 g/mol
LogP6.63
Rot. Bonds6

About 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90480323) has the molecular formula C28H28BrClN4O and a molecular weight of 551.92 g/mol. Its IUPAC name is 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90480323
Molecular FormulaC28H28BrClN4O
Molecular Weight551.92 g/mol
Exact Mass550.11
IUPAC Name6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C28H28BrClN4O/c1-2-25-27(34-18-22(29)7-12-26(34)32-25)28(35)31-17-19-3-10-24(11-4-19)33-15-13-21(14-16-33)20-5-8-23(30)9-6-20/h3-12,18,21H,2,13-17H2,1H3,(H,31,35)
InChIKeyGOJIRCXGCXSSHF-UHFFFAOYSA-N
XLogP6.63
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.92
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 90480323) is 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GOJIRCXGCXSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BrClN4O/c1-2-25-27(34-18-22(29)7-12-26(34)32-25)28(35)31-17-19-3-10-24(11-4-19)33-15-13-21(14-16-33)20-5-8-23(30)9-6-20/h3-12,18,21H,2,13-17H2,1H3,(H,31,35).
What are the key properties of 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 551.92 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90480323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).