ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate

C28H30N2O4 — CID 134179642

IUPACethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(-c3ccc(OC(C)C)cc3)cn2c1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C28H30N2O4/c1-6-32-28(31)26-27(21-9-14-24(15-10-21)34-19(4)5)30-17-22(11-16-25(30)29-26)20-7-12-23(13-8-20)33-18(2)3/h7-19H,6H2,1-5H3
InChIKeyOLKSGNATJCUAGX-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.42
Rot. Bonds8

About ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 134179642) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID134179642
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Nameethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(-c3ccc(OC(C)C)cc3)cn2c1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C28H30N2O4/c1-6-32-28(31)26-27(21-9-14-24(15-10-21)34-19(4)5)30-17-22(11-16-25(30)29-26)20-7-12-23(13-8-20)33-18(2)3/h7-19H,6H2,1-5H3
InChIKeyOLKSGNATJCUAGX-UHFFFAOYSA-N
XLogP6.42
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224558
ethyl 5-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylate
CID 68699637
3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 163368576
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007853
ethyl 6-hydroxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 131537872
6-bromo-5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 115403727

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 134179642) is ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(-c3ccc(OC(C)C)cc3)cn2c1-c1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is OLKSGNATJCUAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-6-32-28(31)26-27(21-9-14-24(15-10-21)34-19(4)5)30-17-22(11-16-25(30)29-26)20-7-12-23(13-8-20)33-18(2)3/h7-19H,6H2,1-5H3.
What are the key properties of ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 458.56 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 134179642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).