tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

C55H63F3N18O5 — CID 158101492

IUPACtert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nccc(N[C@@H]4CCNC4)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1
InChIInChI=1S/C20H23FN6O2.C15H15FN6.C11H7FN4O.C9H18N2O2/c1-20(2,3)29-19(28)26-9-7-14(12-26)24-16-6-8-22-18(25-16)15-10-23-17-5-4-13(21)11-27(15)17;16-10-1-2-14-19-8-12(22(14)9-10)15-18-6-4-13(21-15)20-11-3-5-17-7-11;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,22,24,25);1-2,4,6,8-9,11,17H,3,5,7H2,(H,18,20,21);1-6H,(H,13,15,17);7H,4-6,10H2,1-3H3/t14-;11-;;7-/m11.1/s1
InChIKeyFPHUGVPNMUBDIH-HMGNXUOSSA-N
MW1113.22 g/mol
LogP7.23
Rot. Bonds7

About tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 158101492) has the molecular formula C55H63F3N18O5 and a molecular weight of 1113.22 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID158101492
Molecular FormulaC55H63F3N18O5
Molecular Weight1113.22 g/mol
Exact Mass1112.52
IUPAC Nametert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nccc(N[C@@H]4CCNC4)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1
InChIInChI=1S/C20H23FN6O2.C15H15FN6.C11H7FN4O.C9H18N2O2/c1-20(2,3)29-19(28)26-9-7-14(12-26)24-16-6-8-22-18(25-16)15-10-23-17-5-4-13(21)11-27(15)17;16-10-1-2-14-19-8-12(22(14)9-10)15-18-6-4-13(21-15)20-11-3-5-17-7-11;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,22,24,25);1-2,4,6,8-9,11,17H,3,5,7H2,(H,18,20,21);1-6H,(H,13,15,17);7H,4-6,10H2,1-3H3/t14-;11-;;7-/m11.1/s1
InChIKeyFPHUGVPNMUBDIH-HMGNXUOSSA-N
XLogP7.23
TPSA270.40 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.22
LogP ≤ 57.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

Tert-butyl 3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67241248
tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67241250
Tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 67242083
Tert-butyl 3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67242992
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67242993
4-[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 67260898
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 68328955
Tert-butyl 5-[7-[2-[(2-fluorophenyl)methylamino]-4-pyridinyl]imidazo[1,2-c]pyrimidin-5-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68910471
(R)-tert-Butyl 3-(2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-ylamino)piperidine-1-carboxylate
CID 86692679
(R)-tert-Butyl 3-(6-(dimethylamino)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-ylamino)piperidine-1-carboxylate
CID 86692686
(R)-tert-Butyl 3-(2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholino ethylamino)pyrimidin-4-ylamino)piperidine-1-carboxylate
CID 86692688
(R)-tert-Butyl 3-(2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2H-tetrazol-5-yl)pyrimidin-4-ylamino)piperidine-1-carboxylate
CID 86692703

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (CID 158101492) is tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is CC(C)(C)OC(=O)N1CC[C@@H](N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nccc(N[C@@H]4CCNC4)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1.
What is the InChIKey of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is FPHUGVPNMUBDIH-HMGNXUOSSA-N. The full InChI is InChI=1S/C20H23FN6O2.C15H15FN6.C11H7FN4O.C9H18N2O2/c1-20(2,3)29-19(28)26-9-7-14(12-26)24-16-6-8-22-18(25-16)15-10-23-17-5-4-13(21)11-27(15)17;16-10-1-2-14-19-8-12(22(14)9-10)15-18-6-4-13(21-15)20-11-3-5-17-7-11;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11;1-9(2,3)13-8(12)11-5-4-7(10)6-11/h4-6,8,10-11,14H,7,9,12H2,1-3H3,(H,22,24,25);1-2,4,6,8-9,11,17H,3,5,7H2,(H,18,20,21);1-6H,(H,13,15,17);7H,4-6,10H2,1-3H3/t14-;11-;;7-/m11.1/s1.
What are the key properties of tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 1113.22 g/mol, XLogP of 7.23, 7 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 158101492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).