3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate

C50H47ClF3N15O6 — CID 157175749

IUPAC3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1.COC(=O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1.Fc1ccc2ncc(-c3nccc(Cl)n3)n2c1.O=C(O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C17H16FN5O2.C16H14FN5O2.C11H6ClFN4.C6H11NO2/c1-25-17(24)12-3-2-8-22(12)15-6-7-19-16(21-15)13-9-20-14-5-4-11(18)10-23(13)14;17-10-3-4-13-19-8-12(22(13)9-10)15-18-6-5-14(20-15)21-7-1-2-11(21)16(23)24;12-9-3-4-14-11(16-9)8-5-15-10-2-1-7(13)6-17(8)10;1-9-6(8)5-3-2-4-7-5/h4-7,9-10,12H,2-3,8H2,1H3;3-6,8-9,11H,1-2,7H2,(H,23,24);1-6H;5,7H,2-4H2,1H3/t12-;11-;;5-/m00.0/s1
InChIKeyANZDEMPPFPAZJL-GQOKLASXSA-N
MW1046.47 g/mol
LogP6.55
Rot. Bonds8

About 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate

3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate (PubChem CID 157175749) has the molecular formula C50H47ClF3N15O6 and a molecular weight of 1046.47 g/mol. Its IUPAC name is 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate
PubChem CID157175749
Molecular FormulaC50H47ClF3N15O6
Molecular Weight1046.47 g/mol
Exact Mass1045.35
IUPAC Name3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1.COC(=O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1.Fc1ccc2ncc(-c3nccc(Cl)n3)n2c1.O=C(O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1
InChIInChI=1S/C17H16FN5O2.C16H14FN5O2.C11H6ClFN4.C6H11NO2/c1-25-17(24)12-3-2-8-22(12)15-6-7-19-16(21-15)13-9-20-14-5-4-11(18)10-23(13)14;17-10-3-4-13-19-8-12(22(13)9-10)15-18-6-5-14(20-15)21-7-1-2-11(21)16(23)24;12-9-3-4-14-11(16-9)8-5-15-10-2-1-7(13)6-17(8)10;1-9-6(8)5-3-2-4-7-5/h4-7,9-10,12H,2-3,8H2,1H3;3-6,8-9,11H,1-2,7H2,(H,23,24);1-6H;5,7H,2-4H2,1H3/t12-;11-;;5-/m00.0/s1
InChIKeyANZDEMPPFPAZJL-GQOKLASXSA-N
XLogP6.55
TPSA237.65 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.47
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate with MolForge

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Related Compounds

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
(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-[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
Azane;5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate
CID 157686056
ethanamine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]purine-8-carboxylic acid;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)purine-8-carboxamide
CID 158078671
methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(piperidin-3-ylamino)pyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 163960431
3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2R)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2R)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2R)-pyrrolidine-2-carboxylate
CID 157175750
(2,5-dioxopyrrolidin-1-yl) 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid;methyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
CID 157273135
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
8-Cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine;methyl 2-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]acetate;methyl 2-[1-[6-[(8-cyclopentyl-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]piperidin-4-yl]acetate
CID 158366935

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate (CID 157175749) is 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1.COC(=O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1.Fc1ccc2ncc(-c3nccc(Cl)n3)n2c1.O=C(O)[C@@H]1CCCN1c1ccnc(-c2cnc3ccc(F)cn23)n1.
What is the InChIKey of 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate?
The InChIKey is ANZDEMPPFPAZJL-GQOKLASXSA-N. The full InChI is InChI=1S/C17H16FN5O2.C16H14FN5O2.C11H6ClFN4.C6H11NO2/c1-25-17(24)12-3-2-8-22(12)15-6-7-19-16(21-15)13-9-20-14-5-4-11(18)10-23(13)14;17-10-3-4-13-19-8-12(22(13)9-10)15-18-6-5-14(20-15)21-7-1-2-11(21)16(23)24;12-9-3-4-14-11(16-9)8-5-15-10-2-1-7(13)6-17(8)10;1-9-6(8)5-3-2-4-7-5/h4-7,9-10,12H,2-3,8H2,1H3;3-6,8-9,11H,1-2,7H2,(H,23,24);1-6H;5,7H,2-4H2,1H3/t12-;11-;;5-/m00.0/s1.
What are the key properties of 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate?
3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate has a molecular weight of 1046.47 g/mol, XLogP of 6.55, 8 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid;methyl (2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 157175749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).