tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid

C25H29ClF2N4O4 — CID 129068696

About tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid

tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid (PubChem CID 129068696) has the molecular formula C25H29ClF2N4O4 and a molecular weight of 522.98 g/mol. Its IUPAC name is tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid.

Molecular Properties

• Compound Name: tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid
• PubChem CID: 129068696
• Molecular Formula: C25H29ClF2N4O4
• Molecular Weight: 522.98 g/mol
• Exact Mass: 522.18
• IUPAC Name: tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC(C)(C)CN(C(=O)O)C(C)(C)C
• InChI: InChI=1S/C25H29ClF2N4O4/c1-14-20(22(33)30-25(5,6)13-32(23(34)35)24(2,3)4)31-11-15(26)10-19(21(31)29-14)36-12-16-17(27)8-7-9-18(16)28/h7-11H,12-13H2,1-6H3,(H,30,33)(H,34,35)
• InChIKey: TUXUNZGWVIYOJO-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.98
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid?

The IUPAC name of tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid (CID 129068696) is tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid.

What is the SMILES notation for tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid?

The canonical SMILES for tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NC(C)(C)CN(C(=O)O)C(C)(C)C.

What is the InChIKey of tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid?

The InChIKey is TUXUNZGWVIYOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF2N4O4/c1-14-20(22(33)30-25(5,6)13-32(23(34)35)24(2,3)4)31-11-15(26)10-19(21(31)29-14)36-12-16-17(27)8-7-9-18(16)28/h7-11H,12-13H2,1-6H3,(H,30,33)(H,34,35).

What are the key properties of tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid?

tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid has a molecular weight of 522.98 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[[6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpropyl]carbamic acid is sourced from PubChem (CID 129068696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).