2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

C22H25N3O4 — CID 139928770

IUPAC2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESN#CC(=Cc1c(OC2CCCC2)nc2c(OC3CCCCC3)cccn12)C(=O)O
InChIInChI=1S/C22H25N3O4/c23-14-15(22(26)27)13-18-21(29-17-9-4-5-10-17)24-20-19(11-6-12-25(18)20)28-16-7-2-1-3-8-16/h6,11-13,16-17H,1-5,7-10H2,(H,26,27)
InChIKeyYBUAZCLGQWSRCR-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.36
Rot. Bonds6

About 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 139928770) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID139928770
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESN#CC(=Cc1c(OC2CCCC2)nc2c(OC3CCCCC3)cccn12)C(=O)O
InChIInChI=1S/C22H25N3O4/c23-14-15(22(26)27)13-18-21(29-17-9-4-5-10-17)24-20-19(11-6-12-25(18)20)28-16-7-2-1-3-8-16/h6,11-13,16-17H,1-5,7-10H2,(H,26,27)
InChIKeyYBUAZCLGQWSRCR-UHFFFAOYSA-N
XLogP4.36
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
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'}

Analyze 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-cyano-3-[2-cyclopentyloxy-8-[(2-cyclopropylacetyl)amino]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 139928814
2-cyano-3-[8-(cycloheptylmethoxy)-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 139928818
6-[3-(2-carboxy-2-cyanoethenyl)-2-octoxyimidazo[1,2-a]pyridin-8-yl]oxyhexanoic acid
CID 139928782
(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid
CID 67797354
2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 54476815
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
benzyl 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 54371040
2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 54222554
(E)-2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 67796531
2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile
CID 168608105

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 139928770) is 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is N#CC(=Cc1c(OC2CCCC2)nc2c(OC3CCCCC3)cccn12)C(=O)O.
What is the InChIKey of 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is YBUAZCLGQWSRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c23-14-15(22(26)27)13-18-21(29-17-9-4-5-10-17)24-20-19(11-6-12-25(18)20)28-16-7-2-1-3-8-16/h6,11-13,16-17H,1-5,7-10H2,(H,26,27).
What are the key properties of 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 395.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 139928770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).