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

C27H29FN4O2 — CID 5149763

IUPACN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCN(C)CCNC(=O)CC(c1cccc(F)c1)c1cnc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C27H29FN4O2/c1-31(2)15-13-29-26(33)17-23(21-10-6-11-22(28)16-21)24-18-30-27-25(12-7-14-32(24)27)34-19-20-8-4-3-5-9-20/h3-12,14,16,18,23H,13,15,17,19H2,1-2H3,(H,29,33)
InChIKeyMWINSQWHUVXDMB-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.25
Rot. Bonds10

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

N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 5149763) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID5149763
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCN(C)CCNC(=O)CC(c1cccc(F)c1)c1cnc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C27H29FN4O2/c1-31(2)15-13-29-26(33)17-23(21-10-6-11-22(28)16-21)24-18-30-27-25(12-7-14-32(24)27)34-19-20-8-4-3-5-9-20/h3-12,14,16,18,23H,13,15,17,19H2,1-2H3,(H,29,33)
InChIKeyMWINSQWHUVXDMB-UHFFFAOYSA-N
XLogP4.25
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4524635
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
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-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3665519
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-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4647962
(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 7115600
3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5216373
3-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784164

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (CID 5149763) is N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is CN(C)CCNC(=O)CC(c1cccc(F)c1)c1cnc2c(OCc3ccccc3)cccn12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is MWINSQWHUVXDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-31(2)15-13-29-26(33)17-23(21-10-6-11-22(28)16-21)24-18-30-27-25(12-7-14-32(24)27)34-19-20-8-4-3-5-9-20/h3-12,14,16,18,23H,13,15,17,19H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 460.55 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 5149763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).