5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid

C22H15Cl2N5O3 — CID 161423027

IUPAC5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESN#Cc1ccc(CCCOc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)O)cn23)nc1
InChIInChI=1S/C22H15Cl2N5O3/c23-14-4-6-16(17(24)8-14)18-9-20-27-19(21(30)31)12-29(20)22(28-18)32-7-1-2-15-5-3-13(10-25)11-26-15/h3-6,8-9,11-12H,1-2,7H2,(H,30,31)
InChIKeyVWZJWJAEZGYJDJ-UHFFFAOYSA-N
MW468.30 g/mol
LogP4.68
Rot. Bonds7

About 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid

5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 161423027) has the molecular formula C22H15Cl2N5O3 and a molecular weight of 468.30 g/mol. Its IUPAC name is 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
PubChem CID161423027
Molecular FormulaC22H15Cl2N5O3
Molecular Weight468.30 g/mol
Exact Mass467.06
IUPAC Name5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESN#Cc1ccc(CCCOc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)O)cn23)nc1
InChIInChI=1S/C22H15Cl2N5O3/c23-14-4-6-16(17(24)8-14)18-9-20-27-19(21(30)31)12-29(20)22(28-18)32-7-1-2-15-5-3-13(10-25)11-26-15/h3-6,8-9,11-12H,1-2,7H2,(H,30,31)
InChIKeyVWZJWJAEZGYJDJ-UHFFFAOYSA-N
XLogP4.68
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 11559922
5-[2-[(5-Cyanopyridin-2-yl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid
CID 71261770
6-[4-Chloro-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]pyrazine-2-carboxylic acid
CID 123549155
5-[3-(5-Cyano-2-pyridinyl)propoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid
CID 157754207
5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 161084340
5-[3-(5-cyano-2-pyridinyl)propylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162141781
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162309330
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-(1,3-dihydroxypropan-2-yl)imidazo[1,2-c]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 162325580
7-(4-Chloro-3-fluorophenyl)-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine-3-carboxylic acid
CID 163389665
2-(2,4-Dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 63259886
2-(2,4-Dichlorophenyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 84255999
5-(2,4-Dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 103200833

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 161423027) is 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is N#Cc1ccc(CCCOc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(=O)O)cn23)nc1.
What is the InChIKey of 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is VWZJWJAEZGYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N5O3/c23-14-4-6-16(17(24)8-14)18-9-20-27-19(21(30)31)12-29(20)22(28-18)32-7-1-2-15-5-3-13(10-25)11-26-15/h3-6,8-9,11-12H,1-2,7H2,(H,30,31).
What are the key properties of 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid?
5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 468.30 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 161423027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).