8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H18F5N5O3 — CID 118144800

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118144800) has the molecular formula C22H18F5N5O3 and a molecular weight of 495.41 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118144800
• Molecular Formula: C22H18F5N5O3
• Molecular Weight: 495.41 g/mol
• Exact Mass: 495.13
• IUPAC Name: 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(COCC(F)(F)F)c1
• InChI: InChI=1S/C22H18F5N5O3/c1-13-19(21(33)30-14-8-28-31(9-14)12-34-11-22(25,26)27)32-7-3-6-18(20(32)29-13)35-10-15-16(23)4-2-5-17(15)24/h2-9H,10-12H2,1H3,(H,30,33)
• InChIKey: XISDLTBUUFBXBZ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.41
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118144800) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(COCC(F)(F)F)c1.

What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is XISDLTBUUFBXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5N5O3/c1-13-19(21(33)30-14-8-28-31(9-14)12-34-11-22(25,26)27)32-7-3-6-18(20(32)29-13)35-10-15-16(23)4-2-5-17(15)24/h2-9H,10-12H2,1H3,(H,30,33).

What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 495.41 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118144800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).