tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one

C58H66F6N18O5 — CID 157383475

IUPACtert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(-c3cnc4ccc(F)cn34)ncc2F)C1.Fc1ccc2ncc(-c3ncc(F)c(N[C@@H]4CCCNC4)n3)n2c1.O=c1[nH]c(-c2cnc3ccc(F)cn23)ncc1F
InChIInChI=1S/C21H24F2N6O2.C16H16F2N6.C11H6F2N4O.C10H20N2O2/c1-21(2,3)31-20(30)28-8-4-5-14(12-28)26-18-15(23)9-25-19(27-18)16-10-24-17-7-6-13(22)11-29(16)17;17-10-3-4-14-20-8-13(24(14)9-10)16-21-7-12(18)15(23-16)22-11-2-1-5-19-6-11;12-6-1-2-9-14-4-8(17(9)5-6)10-15-3-7(13)11(18)16-10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,25,26,27);3-4,7-9,11,19H,1-2,5-6H2,(H,21,22,23);1-5H,(H,15,16,18);8H,4-7,11H2,1-3H3/t14-;11-;;8-/m11.1/s1
InChIKeyBLDSFCDDBODIPY-UPMWYOTCSA-N
MW1209.27 g/mol
LogP8.82
Rot. Bonds7

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 157383475) has the molecular formula C58H66F6N18O5 and a molecular weight of 1209.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID157383475
Molecular FormulaC58H66F6N18O5
Molecular Weight1209.27 g/mol
Exact Mass1208.54
IUPAC Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(-c3cnc4ccc(F)cn34)ncc2F)C1.Fc1ccc2ncc(-c3ncc(F)c(N[C@@H]4CCCNC4)n3)n2c1.O=c1[nH]c(-c2cnc3ccc(F)cn23)ncc1F
InChIInChI=1S/C21H24F2N6O2.C16H16F2N6.C11H6F2N4O.C10H20N2O2/c1-21(2,3)31-20(30)28-8-4-5-14(12-28)26-18-15(23)9-25-19(27-18)16-10-24-17-7-6-13(22)11-29(16)17;17-10-3-4-14-20-8-13(24(14)9-10)16-21-7-12(18)15(23-16)22-11-2-1-5-19-6-11;12-6-1-2-9-14-4-8(17(9)5-6)10-15-3-7(13)11(18)16-10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,25,26,27);3-4,7-9,11,19H,1-2,5-6H2,(H,21,22,23);1-5H,(H,15,16,18);8H,4-7,11H2,1-3H3/t14-;11-;;8-/m11.1/s1
InChIKeyBLDSFCDDBODIPY-UPMWYOTCSA-N
XLogP8.82
TPSA270.40 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.27
LogP ≤ 58.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[8-Anilino-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]purin-9-yl]piperidin-1-yl]prop-2-en-1-one
CID 162356165
tert-butyl 4-[5-[6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-9-propan-2-ylpurin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 155558588
tert-butyl 4-[5-[6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-9-pentan-3-ylpurin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 155562186
tert-butyl (3S)-3-[8-(4-fluoroanilino)-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]pyrrolidine-1-carboxylate
CID 162662539
tert-butyl (3R)-3-[8-(4-fluoroanilino)-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]pyrrolidine-1-carboxylate
CID 162669500
tert-butyl 4-[5-[9-cyclopentyl-6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]purin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 155514358
2-(4-Fluorophenyl)-1-(2-(1-(s)-phenylethyl)amino-4-pyrimidinyl)-5-(4-tert.butoxycarbonyl-1-piperazinyl)imidazo[4,5-b]pyridine
CID 21354519
[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 53260783
9-[(3R)-1-acetylpiperidin-3-yl]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
CID 54767529
tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
CID 56591450
tert-butyl (2S)-4-[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]-2-ethylpiperazine-1-carboxylate
CID 58299696
tert-butyl (2S,4R)-2-(difluoromethyl)-4-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 58303290

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one (CID 157383475) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(-c3cnc4ccc(F)cn34)ncc2F)C1.Fc1ccc2ncc(-c3ncc(F)c(N[C@@H]4CCCNC4)n3)n2c1.O=c1[nH]c(-c2cnc3ccc(F)cn23)ncc1F.
What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is BLDSFCDDBODIPY-UPMWYOTCSA-N. The full InChI is InChI=1S/C21H24F2N6O2.C16H16F2N6.C11H6F2N4O.C10H20N2O2/c1-21(2,3)31-20(30)28-8-4-5-14(12-28)26-18-15(23)9-25-19(27-18)16-10-24-17-7-6-13(22)11-29(16)17;17-10-3-4-14-20-8-13(24(14)9-10)16-21-7-12(18)15(23-16)22-11-2-1-5-19-6-11;12-6-1-2-9-14-4-8(17(9)5-6)10-15-3-7(13)11(18)16-10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,25,26,27);3-4,7-9,11,19H,1-2,5-6H2,(H,21,22,23);1-5H,(H,15,16,18);8H,4-7,11H2,1-3H3/t14-;11-;;8-/m11.1/s1.
What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 1209.27 g/mol, XLogP of 8.82, 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-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 157383475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).