tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine

C61H79Cl3N20O6 — CID 158485217

IUPACtert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2cncc(-c3cnc4ccccn34)n2)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2cncc(Cl)n2)C1.Clc1cncc(Cl)n1.c1ccn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2c1
InChIInChI=1S/C20H24N6O2.C15H16N6.C13H19ClN4O2.C9H18N2O2.C4H2Cl2N2/c1-20(2,3)28-19(27)25-9-7-14(13-25)23-17-12-21-10-15(24-17)16-11-22-18-6-4-5-8-26(16)18;1-2-6-21-13(9-18-15(21)3-1)12-8-17-10-14(20-12)19-11-4-5-16-7-11;1-13(2,3)20-12(19)18-5-4-9(8-18)16-11-7-15-6-10(14)17-11;1-9(2,3)13-8(12)11-5-4-7(10)6-11;5-3-1-7-2-4(6)8-3/h4-6,8,10-12,14H,7,9,13H2,1-3H3,(H,23,24);1-3,6,8-11,16H,4-5,7H2,(H,19,20);6-7,9H,4-5,8H2,1-3H3,(H,16,17);7H,4-6,10H2,1-3H3;1-2H/t14-;11-;9-;7-;/m1111./s1
InChIKeyHHZZNGDXESFZBP-RMOYOMIJSA-N
MW1294.80 g/mol
LogP10.07
Rot. Bonds8

About tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine

tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine (PubChem CID 158485217) has the molecular formula C61H79Cl3N20O6 and a molecular weight of 1294.80 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
PubChem CID158485217
Molecular FormulaC61H79Cl3N20O6
Molecular Weight1294.80 g/mol
Exact Mass1292.56
IUPAC Nametert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2cncc(-c3cnc4ccccn34)n2)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2cncc(Cl)n2)C1.Clc1cncc(Cl)n1.c1ccn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2c1
InChIInChI=1S/C20H24N6O2.C15H16N6.C13H19ClN4O2.C9H18N2O2.C4H2Cl2N2/c1-20(2,3)28-19(27)25-9-7-14(13-25)23-17-12-21-10-15(24-17)16-11-22-18-6-4-5-8-26(16)18;1-2-6-21-13(9-18-15(21)3-1)12-8-17-10-14(20-12)19-11-4-5-16-7-11;1-13(2,3)20-12(19)18-5-4-9(8-18)16-11-7-15-6-10(14)17-11;1-9(2,3)13-8(12)11-5-4-7(10)6-11;5-3-1-7-2-4(6)8-3/h4-6,8,10-12,14H,7,9,13H2,1-3H3,(H,23,24);1-3,6,8-11,16H,4-5,7H2,(H,19,20);6-7,9H,4-5,8H2,1-3H3,(H,16,17);7H,4-6,10H2,1-3H3;1-2H/t14-;11-;9-;7-;/m1111./s1
InChIKeyHHZZNGDXESFZBP-RMOYOMIJSA-N
XLogP10.07
TPSA300.48 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001294.80
LogP ≤ 510.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine with MolForge

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Related Compounds

tert-Butyl (3R)-3-{[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino}piperidine-1-carboxylate
CID 67241094
Tert-butyl 3-[[5-chloro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
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6-chloro-2-methoxy-1-pentan-3-ylimidazo[4,5-b]pyridine;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethenyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one
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bis(6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine);bis(2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine)
CID 158106355
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 159317470
CID 161556056
CID 161556056
CID 162010252
CID 162010252
tert-butyl (3S,4S)-3-[[6-(6-chloroimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 164560959
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tert-butyl (3R)-3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 58303579
Tert-butyl 3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 66670504

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine (CID 158485217) is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The canonical SMILES for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine is CC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2cncc(-c3cnc4ccccn34)n2)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2cncc(Cl)n2)C1.Clc1cncc(Cl)n1.c1ccn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2c1.
What is the InChIKey of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
The InChIKey is HHZZNGDXESFZBP-RMOYOMIJSA-N. The full InChI is InChI=1S/C20H24N6O2.C15H16N6.C13H19ClN4O2.C9H18N2O2.C4H2Cl2N2/c1-20(2,3)28-19(27)25-9-7-14(13-25)23-17-12-21-10-15(24-17)16-11-22-18-6-4-5-8-26(16)18;1-2-6-21-13(9-18-15(21)3-1)12-8-17-10-14(20-12)19-11-4-5-16-7-11;1-13(2,3)20-12(19)18-5-4-9(8-18)16-11-7-15-6-10(14)17-11;1-9(2,3)13-8(12)11-5-4-7(10)6-11;5-3-1-7-2-4(6)8-3/h4-6,8,10-12,14H,7,9,13H2,1-3H3,(H,23,24);1-3,6,8-11,16H,4-5,7H2,(H,19,20);6-7,9H,4-5,8H2,1-3H3,(H,16,17);7H,4-6,10H2,1-3H3;1-2H/t14-;11-;9-;7-;/m1111./s1.
What are the key properties of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine?
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine has a molecular weight of 1294.80 g/mol, XLogP of 10.07, 8 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-chloropyrazin-2-yl)amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate;2,6-dichloropyrazine;6-imidazo[1,2-a]pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 158485217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).