tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid

C28H38N4O4 — CID 90119576

IUPACtert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid
SMILESCCCC(C)(CNC(=O)c1c(C)nc2c(OCc3ccccc3)cc(C)cn12)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C28H38N4O4/c1-8-14-28(7,32(26(34)35)27(4,5)6)18-29-25(33)23-20(3)30-24-22(15-19(2)16-31(23)24)36-17-21-12-10-9-11-13-21/h9-13,15-16H,8,14,17-18H2,1-7H3,(H,29,33)(H,34,35)
InChIKeyWWOFBDMSILNNAC-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.60
Rot. Bonds9

About tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid

tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid (PubChem CID 90119576) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid
PubChem CID90119576
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Nametert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid
SMILESCCCC(C)(CNC(=O)c1c(C)nc2c(OCc3ccccc3)cc(C)cn12)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C28H38N4O4/c1-8-14-28(7,32(26(34)35)27(4,5)6)18-29-25(33)23-20(3)30-24-22(15-19(2)16-31(23)24)36-17-21-12-10-9-11-13-21/h9-13,15-16H,8,14,17-18H2,1-7H3,(H,29,33)(H,34,35)
InChIKeyWWOFBDMSILNNAC-UHFFFAOYSA-N
XLogP5.60
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid (CID 90119576) is tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid is CCCC(C)(CNC(=O)c1c(C)nc2c(OCc3ccccc3)cc(C)cn12)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid?
The InChIKey is WWOFBDMSILNNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-8-14-28(7,32(26(34)35)27(4,5)6)18-29-25(33)23-20(3)30-24-22(15-19(2)16-31(23)24)36-17-21-12-10-9-11-13-21/h9-13,15-16H,8,14,17-18H2,1-7H3,(H,29,33)(H,34,35).
What are the key properties of tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid?
tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid has a molecular weight of 494.64 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(2,6-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-2-methylpentan-2-yl]carbamic acid is sourced from PubChem (CID 90119576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).