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

C58H69F3N18O5 — CID 160634509

IUPACtert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;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](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nccc(N[C@@H]4CCCNC4)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1
InChIInChI=1S/C21H25FN6O2.C16H17FN6.C11H7FN4O.C10H20N2O2/c1-21(2,3)30-20(29)27-10-4-5-15(13-27)25-17-8-9-23-19(26-17)16-11-24-18-7-6-14(22)12-28(16)18;17-11-3-4-15-20-9-13(23(15)10-11)16-19-7-5-14(22-16)21-12-2-1-6-18-8-12;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25,26);3-5,7,9-10,12,18H,1-2,6,8H2,(H,19,21,22);1-6H,(H,13,15,17);8H,4-7,11H2,1-3H3/t15-;12-;;8-/m11.1/s1
InChIKeyRIJBQPWJQDVWFK-GNQIJJTFSA-N
MW1155.30 g/mol
LogP8.40
Rot. Bonds7

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

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 160634509) has the molecular formula C58H69F3N18O5 and a molecular weight of 1155.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;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-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID160634509
Molecular FormulaC58H69F3N18O5
Molecular Weight1155.30 g/mol
Exact Mass1154.57
IUPAC Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;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](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nccc(N[C@@H]4CCCNC4)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1
InChIInChI=1S/C21H25FN6O2.C16H17FN6.C11H7FN4O.C10H20N2O2/c1-21(2,3)30-20(29)27-10-4-5-15(13-27)25-17-8-9-23-19(26-17)16-11-24-18-7-6-14(22)12-28(16)18;17-11-3-4-15-20-9-13(23(15)10-11)16-19-7-5-14(22-16)21-12-2-1-6-18-8-12;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25,26);3-5,7,9-10,12,18H,1-2,6,8H2,(H,19,21,22);1-6H,(H,13,15,17);8H,4-7,11H2,1-3H3/t15-;12-;;8-/m11.1/s1
InChIKeyRIJBQPWJQDVWFK-GNQIJJTFSA-N
XLogP8.40
TPSA270.40 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.30
LogP ≤ 58.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

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

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Related Compounds

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1-[4-[8-Anilino-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]purin-9-yl]piperidin-1-yl]prop-2-en-1-one
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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
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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
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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
Tert-butyl 4-[6-[[5-fluoro-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 166629936
2-(4-Fluorophenyl)-1-(2-(1-(s)-phenylethyl)amino-4-pyrimidinyl)-5-(4-tert.butoxycarbonyl-1-piperazinyl)imidazo[4,5-b]pyridine
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5-fluoro-6-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 53260782
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;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-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one (CID 160634509) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;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-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;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-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;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](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nccc(N[C@@H]4CCCNC4)n3)n2c1.O=c1ccnc(-c2cnc3ccc(F)cn23)[nH]1.
What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is RIJBQPWJQDVWFK-GNQIJJTFSA-N. The full InChI is InChI=1S/C21H25FN6O2.C16H17FN6.C11H7FN4O.C10H20N2O2/c1-21(2,3)30-20(29)27-10-4-5-15(13-27)25-17-8-9-23-19(26-17)16-11-24-18-7-6-14(22)12-28(16)18;17-11-3-4-15-20-9-13(23(15)10-11)16-19-7-5-14(22-16)21-12-2-1-6-18-8-12;12-7-1-2-9-14-5-8(16(9)6-7)11-13-4-3-10(17)15-11;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H,23,25,26);3-5,7,9-10,12,18H,1-2,6,8H2,(H,19,21,22);1-6H,(H,13,15,17);8H,4-7,11H2,1-3H3/t15-;12-;;8-/m11.1/s1.
What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one?
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 1155.30 g/mol, XLogP of 8.40, 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-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 160634509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).