3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride

C34H32Cl4F2N10O4 — CID 158174094

IUPAC3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride
SMILESCOC(=O)[C@@H]1CCCN1c1cc(Cl)nc(-c2cnc3ccc(F)cn23)n1.COC(=O)[C@@H]1CCC[NH2+]1.Fc1ccc2ncc(-c3nc(Cl)cc(Cl)n3)n2c1.[Cl-]
InChIInChI=1S/C17H15ClFN5O2.C11H5Cl2FN4.C6H11NO2.ClH/c1-26-17(25)11-3-2-6-23(11)15-7-13(18)21-16(22-15)12-8-20-14-5-4-10(19)9-24(12)14;12-8-3-9(13)17-11(16-8)7-4-15-10-2-1-6(14)5-18(7)10;1-9-6(8)5-3-2-4-7-5;/h4-5,7-9,11H,2-3,6H2,1H3;1-5H;5,7H,2-4H2,1H3;1H/t11-;;5-;/m0.0./s1
InChIKeySVEHYATXQSKBSC-KHJXFHBNSA-N
MW824.50 g/mol
LogP1.85
Rot. Bonds5

About 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride

3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride (PubChem CID 158174094) has the molecular formula C34H32Cl4F2N10O4 and a molecular weight of 824.50 g/mol. Its IUPAC name is 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride.

Molecular Properties

Compound Name3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride
PubChem CID158174094
Molecular FormulaC34H32Cl4F2N10O4
Molecular Weight824.50 g/mol
Exact Mass822.13
IUPAC Name3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride
SMILESCOC(=O)[C@@H]1CCCN1c1cc(Cl)nc(-c2cnc3ccc(F)cn23)n1.COC(=O)[C@@H]1CCC[NH2+]1.Fc1ccc2ncc(-c3nc(Cl)cc(Cl)n3)n2c1.[Cl-]
InChIInChI=1S/C17H15ClFN5O2.C11H5Cl2FN4.C6H11NO2.ClH/c1-26-17(25)11-3-2-6-23(11)15-7-13(18)21-16(22-15)12-8-20-14-5-4-10(19)9-24(12)14;12-8-3-9(13)17-11(16-8)7-4-15-10-2-1-6(14)5-18(7)10;1-9-6(8)5-3-2-4-7-5;/h4-5,7-9,11H,2-3,6H2,1H3;1-5H;5,7H,2-4H2,1H3;1H/t11-;;5-;/m0.0./s1
InChIKeySVEHYATXQSKBSC-KHJXFHBNSA-N
XLogP1.85
TPSA158.61 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride 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

(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 67256744
3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 67258208
3-[[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxycarbonylpyrrolidin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 67258209
1-[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 77254923
(S)-Methyl 1-(6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 86692692
(R)-tert-Butyl 3-(2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-((S)-2-(methoxy carbonyl)pyrrolidin-1-yl)pyrimidin-4-ylamino)piperidine-1-carboxylate
CID 86692693
(S)-1-(2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-((R)-piperidin-3-ylamino) pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 86692694
(S)-methyl 1-(2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-((R)-piperidin-3-yl amino)pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 86692695
Methyl 1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 87327030
1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 89755185
methyl 1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 89755712
Methyl 1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 89755714

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride?
The IUPAC name of 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride (CID 158174094) is 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride.
What is the SMILES notation for 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride?
The canonical SMILES for 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride is COC(=O)[C@@H]1CCCN1c1cc(Cl)nc(-c2cnc3ccc(F)cn23)n1.COC(=O)[C@@H]1CCC[NH2+]1.Fc1ccc2ncc(-c3nc(Cl)cc(Cl)n3)n2c1.[Cl-].
What is the InChIKey of 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride?
The InChIKey is SVEHYATXQSKBSC-KHJXFHBNSA-N. The full InChI is InChI=1S/C17H15ClFN5O2.C11H5Cl2FN4.C6H11NO2.ClH/c1-26-17(25)11-3-2-6-23(11)15-7-13(18)21-16(22-15)12-8-20-14-5-4-10(19)9-24(12)14;12-8-3-9(13)17-11(16-8)7-4-15-10-2-1-6(14)5-18(7)10;1-9-6(8)5-3-2-4-7-5;/h4-5,7-9,11H,2-3,6H2,1H3;1-5H;5,7H,2-4H2,1H3;1H/t11-;;5-;/m0.0./s1.
What are the key properties of 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride?
3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride has a molecular weight of 824.50 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;methyl (2S)-1-[6-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride is sourced from PubChem (CID 158174094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).