benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate

C23H23N3O3 — CID 67794746

IUPACbenzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCc1cccn2c(/C=C(/C#N)C(=O)OCc3ccccc3)c(OCC(C)C)nc12
InChIInChI=1S/C23H23N3O3/c1-16(2)14-28-22-20(26-11-7-8-17(3)21(26)25-22)12-19(13-24)23(27)29-15-18-9-5-4-6-10-18/h4-12,16H,14-15H2,1-3H3/b19-12-
InChIKeyOHTIPTNOUHVINX-UNOMPAQXSA-N
MW389.46 g/mol
LogP4.33
Rot. Bonds7

About benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate

benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate (PubChem CID 67794746) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Namebenzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
PubChem CID67794746
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namebenzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCc1cccn2c(/C=C(/C#N)C(=O)OCc3ccccc3)c(OCC(C)C)nc12
InChIInChI=1S/C23H23N3O3/c1-16(2)14-28-22-20(26-11-7-8-17(3)21(26)25-22)12-19(13-24)23(27)29-15-18-9-5-4-6-10-18/h4-12,16H,14-15H2,1-3H3/b19-12-
InChIKeyOHTIPTNOUHVINX-UNOMPAQXSA-N
XLogP4.33
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 54371040
benzyl 2-cyano-3-(8-ethoxy-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 54404306
benzyl (Z)-2-cyano-3-(2-hexoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67795992
ethyl 2-cyano-3-(2-ethenoxy-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67796632
2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 54476815
benzyl (Z)-2-cyano-3-(6-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67794850
benzyl (E)-2-cyano-3-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]prop-2-enoate
CID 7652159
methyl 2-cyano-3-[2-(dibenzylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
CID 3784446
(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid
CID 67797354
2-methylpropyl (E)-2-cyano-3-(2-hydroxyphenyl)prop-2-enoate
CID 139578103
(4-tert-butylphenyl)methyl 2-cyano-3-phenylprop-2-enoate
CID 4200264
benzyl (E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate
CID 6532384

Frequently Asked Questions

What is the IUPAC name of benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate (CID 67794746) is benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate is Cc1cccn2c(/C=C(/C#N)C(=O)OCc3ccccc3)c(OCC(C)C)nc12.
What is the InChIKey of benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is OHTIPTNOUHVINX-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(2)14-28-22-20(26-11-7-8-17(3)21(26)25-22)12-19(13-24)23(27)29-15-18-9-5-4-6-10-18/h4-12,16H,14-15H2,1-3H3/b19-12-.
What are the key properties of benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate has a molecular weight of 389.46 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 67794746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).