N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

C27H28FN3O2 — CID 4524635

IUPACN-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCCCCNC(=O)CC(c1cccc(F)c1)c1cnc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C27H28FN3O2/c1-2-3-14-29-26(32)17-23(21-11-7-12-22(28)16-21)24-18-30-27-25(13-8-15-31(24)27)33-19-20-9-5-4-6-10-20/h4-13,15-16,18,23H,2-3,14,17,19H2,1H3,(H,29,32)
InChIKeyYQWVVUSUACHCLX-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.49
Rot. Bonds10

About N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 4524635) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID4524635
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCCCCNC(=O)CC(c1cccc(F)c1)c1cnc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C27H28FN3O2/c1-2-3-14-29-26(32)17-23(21-11-7-12-22(28)16-21)24-18-30-27-25(13-8-15-31(24)27)33-19-20-9-5-4-6-10-20/h4-13,15-16,18,23H,2-3,14,17,19H2,1H3,(H,29,32)
InChIKeyYQWVVUSUACHCLX-UHFFFAOYSA-N
XLogP5.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5149763
N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4647962
3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3665519
3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42784065
3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3570484
(3S)-N-butyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332062
N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4138583
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4052079
N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4156495
N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 46126228
N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5050639
(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 7115600

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (CID 4524635) is N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is CCCCNC(=O)CC(c1cccc(F)c1)c1cnc2c(OCc3ccccc3)cccn12.
What is the InChIKey of N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is YQWVVUSUACHCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-2-3-14-29-26(32)17-23(21-11-7-12-22(28)16-21)24-18-30-27-25(13-8-15-31(24)27)33-19-20-9-5-4-6-10-20/h4-13,15-16,18,23H,2-3,14,17,19H2,1H3,(H,29,32).
What are the key properties of N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 445.54 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 4524635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).