(2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

C24H26F2N4O3 — CID 166769586

About (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid

(2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (PubChem CID 166769586) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
• PubChem CID: 166769586
• Molecular Formula: C24H26F2N4O3
• Molecular Weight: 456.49 g/mol
• Exact Mass: 456.20
• IUPAC Name: (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
• SMILES: CNC1(c2cc(F)c(-c3nc4cc(C)ccn4c3C[C@H]3CN(C(=O)O)CCO3)c(F)c2)CC1
• InChI: InChI=1S/C24H26F2N4O3/c1-14-3-6-30-19(12-16-13-29(23(31)32)7-8-33-16)22(28-20(30)9-14)21-17(25)10-15(11-18(21)26)24(27-2)4-5-24/h3,6,9-11,16,27H,4-5,7-8,12-13H2,1-2H3,(H,31,32)/t16-/m0/s1
• InChIKey: ZCSMYMOVBLFLPF-INIZCTEOSA-N
• XLogP: 3.72
• TPSA: 79.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?

The IUPAC name of (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid (CID 166769586) is (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid.

What is the SMILES notation for (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?

The canonical SMILES for (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is CNC1(c2cc(F)c(-c3nc4cc(C)ccn4c3C[C@H]3CN(C(=O)O)CCO3)c(F)c2)CC1.

What is the InChIKey of (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?

The InChIKey is ZCSMYMOVBLFLPF-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-14-3-6-30-19(12-16-13-29(23(31)32)7-8-33-16)22(28-20(30)9-14)21-17(25)10-15(11-18(21)26)24(27-2)4-5-24/h3,6,9-11,16,27H,4-5,7-8,12-13H2,1-2H3,(H,31,32)/t16-/m0/s1.

What are the key properties of (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid?

(2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid has a molecular weight of 456.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-[2,6-difluoro-4-[1-(methylamino)cyclopropyl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 166769586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).