(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid

C18H21N3O4 — CID 67797354

IUPAC(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid
SMILESCCCCOc1nc2c(OC(C)C)cccn2c1/C=C(\C#N)C(=O)O
InChIInChI=1S/C18H21N3O4/c1-4-5-9-24-17-14(10-13(11-19)18(22)23)21-8-6-7-15(16(21)20-17)25-12(2)3/h6-8,10,12H,4-5,9H2,1-3H3,(H,22,23)/b13-10+
InChIKeyNCEMOKAHLRXQOR-JLHYYAGUSA-N
MW343.38 g/mol
LogP3.29
Rot. Bonds8

About (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid

(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid (PubChem CID 67797354) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid
PubChem CID67797354
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid
SMILESCCCCOc1nc2c(OC(C)C)cccn2c1/C=C(\C#N)C(=O)O
InChIInChI=1S/C18H21N3O4/c1-4-5-9-24-17-14(10-13(11-19)18(22)23)21-8-6-7-15(16(21)20-17)25-12(2)3/h6-8,10,12H,4-5,9H2,1-3H3,(H,22,23)/b13-10+
InChIKeyNCEMOKAHLRXQOR-JLHYYAGUSA-N
XLogP3.29
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

benzyl (Z)-2-cyano-3-(2-hexoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67795992
6-[3-(2-carboxy-2-cyanoethenyl)-2-octoxyimidazo[1,2-a]pyridin-8-yl]oxyhexanoic acid
CID 139928782
2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 54476815
2-cyano-3-[8-(cycloheptylmethoxy)-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 139928818
benzyl 2-cyano-3-(8-ethoxy-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 54404306
2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 139928770
benzyl 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 54371040
benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 67794746
ethyl 2-cyano-3-(2-ethenoxy-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67796632
(E)-3-[4-(4-butoxyphenyl)phenyl]-2-cyanoprop-2-enoic acid
CID 146303487
(E)-2-cyano-3-(4-decoxyphenyl)prop-2-enoic acid
CID 43833928
(E)-3-[2-[4-[2-[(E)-2-carboxy-2-cyanoethenyl]phenoxy]butoxy]phenyl]-2-cyanoprop-2-enoic acid
CID 102013525

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid?
The IUPAC name of (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid (CID 67797354) is (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid?
The canonical SMILES for (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid is CCCCOc1nc2c(OC(C)C)cccn2c1/C=C(\C#N)C(=O)O.
What is the InChIKey of (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid?
The InChIKey is NCEMOKAHLRXQOR-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-5-9-24-17-14(10-13(11-19)18(22)23)21-8-6-7-15(16(21)20-17)25-12(2)3/h6-8,10,12H,4-5,9H2,1-3H3,(H,22,23)/b13-10+.
What are the key properties of (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid?
(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid is sourced from PubChem (CID 67797354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).