4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid

C24H23F3N6O2 — CID 155576559

About 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid

4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 155576559) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid
• PubChem CID: 155576559
• Molecular Formula: C24H23F3N6O2
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.18
• IUPAC Name: 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid
• SMILES: Cc1c(C(Nc2ccn3ccnc3c2)c2ccc(N3CCC(F)(F)C3)cc2F)c(C(=O)O)nn1C
• InChI: InChI=1S/C24H23F3N6O2/c1-14-20(22(23(34)35)30-31(14)2)21(29-15-5-8-32-10-7-28-19(32)11-15)17-4-3-16(12-18(17)25)33-9-6-24(26,27)13-33/h3-5,7-8,10-12,21,29H,6,9,13H2,1-2H3,(H,34,35)
• InChIKey: YXNJBCRJBYFCAQ-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 87.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid?

The IUPAC name of 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid (CID 155576559) is 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid.

What is the SMILES notation for 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid?

The canonical SMILES for 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid is Cc1c(C(Nc2ccn3ccnc3c2)c2ccc(N3CCC(F)(F)C3)cc2F)c(C(=O)O)nn1C.

What is the InChIKey of 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid?

The InChIKey is YXNJBCRJBYFCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-14-20(22(23(34)35)30-31(14)2)21(29-15-5-8-32-10-7-28-19(32)11-15)17-4-3-16(12-18(17)25)33-9-6-24(26,27)13-33/h3-5,7-8,10-12,21,29H,6,9,13H2,1-2H3,(H,34,35).

What are the key properties of 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid?

4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid has a molecular weight of 484.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-(imidazo[1,2-a]pyridin-7-ylamino)methyl]-1,5-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 155576559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).