N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide

C24H23F6N7O — CID 157024570

About N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide

N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide (PubChem CID 157024570) has the molecular formula C24H23F6N7O and a molecular weight of 539.48 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide
• PubChem CID: 157024570
• Molecular Formula: C24H23F6N7O
• Molecular Weight: 539.48 g/mol
• Exact Mass: 539.19
• IUPAC Name: N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide
• SMILES: Cc1cc(Nc2cccn3c(-c4cn(CC(F)F)nc4C(F)(F)F)cnc23)cc(F)c1C(=O)N[C@H](C)CN
• InChI: InChI=1S/C24H23F6N7O/c1-12-6-14(7-16(25)20(12)23(38)33-13(2)8-31)34-17-4-3-5-37-18(9-32-22(17)37)15-10-36(11-19(26)27)35-21(15)24(28,29)30/h3-7,9-10,13,19,34H,8,11,31H2,1-2H3,(H,33,38)/t13-/m1/s1
• InChIKey: SUVSFQVWCWONOQ-CYBMUJFWSA-N
• XLogP: 4.75
• TPSA: 102.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.48
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide?

The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide (CID 157024570) is N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide.

What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide?

The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide is Cc1cc(Nc2cccn3c(-c4cn(CC(F)F)nc4C(F)(F)F)cnc23)cc(F)c1C(=O)N[C@H](C)CN.

What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide?

The InChIKey is SUVSFQVWCWONOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H23F6N7O/c1-12-6-14(7-16(25)20(12)23(38)33-13(2)8-31)34-17-4-3-5-37-18(9-32-22(17)37)15-10-36(11-19(26)27)35-21(15)24(28,29)30/h3-7,9-10,13,19,34H,8,11,31H2,1-2H3,(H,33,38)/t13-/m1/s1.

What are the key properties of N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide?

N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide has a molecular weight of 539.48 g/mol, XLogP of 4.75, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-aminopropan-2-yl]-4-[[3-[1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-8-yl]amino]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 157024570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).