2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C19H22N4O2 — CID 123760488

IUPAC2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCC12CC1C21CCCN1CCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C19H22N4O2/c1-18-10-16(18)19(18)4-2-6-23(19)8-7-22-11-15(21-12-22)14-9-13(17(24)25)3-5-20-14/h3,5,9,11-12,16H,2,4,6-8,10H2,1H3,(H,24,25)
InChIKeyPMQZTJHCAZSROU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 123760488) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID123760488
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCC12CC1C21CCCN1CCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C19H22N4O2/c1-18-10-16(18)19(18)4-2-6-23(19)8-7-22-11-15(21-12-22)14-9-13(17(24)25)3-5-20-14/h3,5,9,11-12,16H,2,4,6-8,10H2,1H3,(H,24,25)
InChIKeyPMQZTJHCAZSROU-UHFFFAOYSA-N
XLogP2.52
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
CID 90407056
2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid;toluene
CID 144718396
2-[1-[2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 90440537
2-[1-[2-(2-cyclopropylethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 90407461
2-[1-[2-[[1-cyclopropyl-1-(4-fluorophenyl)ethyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 126644172
2-[1-[2-[(4-chlorophenyl)methyl-(cyclopropylmethyl)amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 90440521
2-[1-[2-[(4-cyclopropylphenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid;2-[1-[2-[methyl-[(4-methylphenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 121302728
2-[1-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 85470886
methyl 2-[1-[2-[(3,3-difluorocyclobutyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylate
CID 90440527
2-(2,2,6,6-tetramethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 165450622
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70713165

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 123760488) is 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is CC12CC1C21CCCN1CCn1cnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is PMQZTJHCAZSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-18-10-16(18)19(18)4-2-6-23(19)8-7-22-11-15(21-12-22)14-9-13(17(24)25)3-5-20-14/h3,5,9,11-12,16H,2,4,6-8,10H2,1H3,(H,24,25).
What are the key properties of 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylspiro[bicyclo[1.1.0]butane-2,2'-pyrrolidine]-1'-yl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 123760488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).