N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide

C21H24FN3O — CID 3715906

IUPACN-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCCC(C)NC(=O)CC(c1ccccc1F)c1cnc2cc(C)ccn12
InChIInChI=1S/C21H24FN3O/c1-4-15(3)24-21(26)12-17(16-7-5-6-8-18(16)22)19-13-23-20-11-14(2)9-10-25(19)20/h5-11,13,15,17H,4,12H2,1-3H3,(H,24,26)
InChIKeyBPDFCCBXQXSCAC-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.22
Rot. Bonds6

About N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide

N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 3715906) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID3715906
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCCC(C)NC(=O)CC(c1ccccc1F)c1cnc2cc(C)ccn12
InChIInChI=1S/C21H24FN3O/c1-4-15(3)24-21(26)12-17(16-7-5-6-8-18(16)22)19-13-23-20-11-14(2)9-10-25(19)20/h5-11,13,15,17H,4,12H2,1-3H3,(H,24,26)
InChIKeyBPDFCCBXQXSCAC-UHFFFAOYSA-N
XLogP4.22
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5050636
3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylpropanamide
CID 42782890
(3R)-N-(2-fluorophenyl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332181
1-(4-benzylpiperazin-1-yl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4575528
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 4532247
3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42879894
(3S)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanamide
CID 7218359
3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one
CID 42782893
(3S)-3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylpropanamide
CID 7332110
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879887
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N,N-dipropylpropanamide
CID 42784088

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide (CID 3715906) is N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide is CCC(C)NC(=O)CC(c1ccccc1F)c1cnc2cc(C)ccn12.
What is the InChIKey of N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is BPDFCCBXQXSCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-4-15(3)24-21(26)12-17(16-7-5-6-8-18(16)22)19-13-23-20-11-14(2)9-10-25(19)20/h5-11,13,15,17H,4,12H2,1-3H3,(H,24,26).
What are the key properties of N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 353.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 3715906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).