N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide

C25H24FN3O — CID 5050636

IUPACN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCc1ccn2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc3F)cnc2c1
InChIInChI=1S/C25H24FN3O/c1-16-10-11-29-23(15-27-24(29)12-16)21(20-6-4-5-7-22(20)26)14-25(30)28-19-9-8-17(2)18(3)13-19/h4-13,15,21H,14H2,1-3H3,(H,28,30)
InChIKeyYBBMIGUAMUOQAM-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.56
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide

N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 5050636) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID5050636
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC NameN-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESCc1ccn2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc3F)cnc2c1
InChIInChI=1S/C25H24FN3O/c1-16-10-11-29-23(15-27-24(29)12-16)21(20-6-4-5-7-22(20)26)14-25(30)28-19-9-8-17(2)18(3)13-19/h4-13,15,21H,14H2,1-3H3,(H,28,30)
InChIKeyYBBMIGUAMUOQAM-UHFFFAOYSA-N
XLogP5.56
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide (CID 5050636) is N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide is Cc1ccn2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc3F)cnc2c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is YBBMIGUAMUOQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-16-10-11-29-23(15-27-24(29)12-16)21(20-6-4-5-7-22(20)26)14-25(30)28-19-9-8-17(2)18(3)13-19/h4-13,15,21H,14H2,1-3H3,(H,28,30).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide?
N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 401.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 5050636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).