tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C29H35F2N5O5 — CID 175437900

About tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 175437900) has the molecular formula C29H35F2N5O5 and a molecular weight of 571.63 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• PubChem CID: 175437900
• Molecular Formula: C29H35F2N5O5
• Molecular Weight: 571.63 g/mol
• Exact Mass: 571.26
• IUPAC Name: tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
• SMILES: Cc1ccn2c(C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)c(-c3c(F)cc(C(=O)NC(C)(C)C(N)=O)cc3F)nc2c1
• InChI: InChI=1S/C29H35F2N5O5/c1-16-7-8-36-21(14-18-15-35(9-10-40-18)27(39)41-28(2,3)4)24(33-22(36)11-16)23-19(30)12-17(13-20(23)31)25(37)34-29(5,6)26(32)38/h7-8,11-13,18H,9-10,14-15H2,1-6H3,(H2,32,38)(H,34,37)/t18-/m0/s1
• InChIKey: UXWQZFQZQQGMBM-SFHVURJKSA-N
• XLogP: 3.76
• TPSA: 128.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.63
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The IUPAC name of tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 175437900) is tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

What is the SMILES notation for tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The canonical SMILES for tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is Cc1ccn2c(C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)c(-c3c(F)cc(C(=O)NC(C)(C)C(N)=O)cc3F)nc2c1.

What is the InChIKey of tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

The InChIKey is UXWQZFQZQQGMBM-SFHVURJKSA-N. The full InChI is InChI=1S/C29H35F2N5O5/c1-16-7-8-36-21(14-18-15-35(9-10-40-18)27(39)41-28(2,3)4)24(33-22(36)11-16)23-19(30)12-17(13-20(23)31)25(37)34-29(5,6)26(32)38/h7-8,11-13,18H,9-10,14-15H2,1-6H3,(H2,32,38)(H,34,37)/t18-/m0/s1.

What are the key properties of tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?

tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 571.63 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[[2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 175437900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).