methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate

C27H33N3O4 — CID 140636860

IUPACmethyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1C)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12
InChIInChI=1S/C27H33N3O4/c1-18-10-7-8-13-21(18)16-22(27(32)33-3)29-26(31)24-19(2)28-25-23(14-9-15-30(24)25)34-17-20-11-5-4-6-12-20/h7-10,13-15,20,22H,4-6,11-12,16-17H2,1-3H3,(H,29,31)/t22-/m1/s1
InChIKeyUQLKKFMWAXHHAX-JOCHJYFZSA-N
MW463.58 g/mol
LogP4.42
Rot. Bonds8

About methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate

methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate (PubChem CID 140636860) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate
PubChem CID140636860
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Namemethyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1C)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12
InChIInChI=1S/C27H33N3O4/c1-18-10-7-8-13-21(18)16-22(27(32)33-3)29-26(31)24-19(2)28-25-23(14-9-15-30(24)25)34-17-20-11-5-4-6-12-20/h7-10,13-15,20,22H,4-6,11-12,16-17H2,1-3H3,(H,29,31)/t22-/m1/s1
InChIKeyUQLKKFMWAXHHAX-JOCHJYFZSA-N
XLogP4.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate?
The IUPAC name of methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate (CID 140636860) is methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate is COC(=O)[C@@H](Cc1ccccc1C)NC(=O)c1c(C)nc2c(OCC3CCCCC3)cccn12.
What is the InChIKey of methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate?
The InChIKey is UQLKKFMWAXHHAX-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-18-10-7-8-13-21(18)16-22(27(32)33-3)29-26(31)24-19(2)28-25-23(14-9-15-30(24)25)34-17-20-11-5-4-6-12-20/h7-10,13-15,20,22H,4-6,11-12,16-17H2,1-3H3,(H,29,31)/t22-/m1/s1.
What are the key properties of methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate?
methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate has a molecular weight of 463.58 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoate is sourced from PubChem (CID 140636860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).