tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane

C57H77ClF5N11O9 — CID 159974880

IUPACtert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane
SMILESC1CCOCC1.Cc1c(N2CCOCC2)ncc(F)c1C(=O)O.Cc1c(N2CCOCC2)ncc(F)c1N.Cc1c(N2CCOCC2)ncc(F)c1NC(=O)OC(C)(C)C.Cc1cc(F)cnc1Cl.Cc1cc(F)cnc1N1CCOCC1
InChIInChI=1S/C15H22FN3O3.C11H13FN2O3.C10H14FN3O.C10H13FN2O.C6H5ClFN.C5H10O/c1-10-12(18-14(20)22-15(2,3)4)11(16)9-17-13(10)19-5-7-21-8-6-19;1-7-9(11(15)16)8(12)6-13-10(7)14-2-4-17-5-3-14;1-7-9(12)8(11)6-13-10(7)14-2-4-15-5-3-14;1-8-6-9(11)7-12-10(8)13-2-4-14-5-3-13;1-4-2-5(8)3-9-6(4)7;1-2-4-6-5-3-1/h9H,5-8H2,1-4H3,(H,17,18,20);6H,2-5H2,1H3,(H,15,16);6H,2-5H2,1H3,(H2,12,13);6-7H,2-5H2,1H3;2-3H,1H3;1-5H2
InChIKeyOFADRNVCAGZPLD-UHFFFAOYSA-N
MW1190.75 g/mol
LogP9.46
Rot. Bonds6

About tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane

tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane (PubChem CID 159974880) has the molecular formula C57H77ClF5N11O9 and a molecular weight of 1190.75 g/mol. Its IUPAC name is tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane.

Molecular Properties

Compound Nametert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane
PubChem CID159974880
Molecular FormulaC57H77ClF5N11O9
Molecular Weight1190.75 g/mol
Exact Mass1189.55
IUPAC Nametert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane
SMILESC1CCOCC1.Cc1c(N2CCOCC2)ncc(F)c1C(=O)O.Cc1c(N2CCOCC2)ncc(F)c1N.Cc1c(N2CCOCC2)ncc(F)c1NC(=O)OC(C)(C)C.Cc1cc(F)cnc1Cl.Cc1cc(F)cnc1N1CCOCC1
InChIInChI=1S/C15H22FN3O3.C11H13FN2O3.C10H14FN3O.C10H13FN2O.C6H5ClFN.C5H10O/c1-10-12(18-14(20)22-15(2,3)4)11(16)9-17-13(10)19-5-7-21-8-6-19;1-7-9(11(15)16)8(12)6-13-10(7)14-2-4-17-5-3-14;1-7-9(12)8(11)6-13-10(7)14-2-4-15-5-3-14;1-8-6-9(11)7-12-10(8)13-2-4-14-5-3-13;1-4-2-5(8)3-9-6(4)7;1-2-4-6-5-3-1/h9H,5-8H2,1-4H3,(H,17,18,20);6H,2-5H2,1H3,(H,15,16);6H,2-5H2,1H3,(H2,12,13);6-7H,2-5H2,1H3;2-3H,1H3;1-5H2
InChIKeyOFADRNVCAGZPLD-UHFFFAOYSA-N
XLogP9.46
TPSA225.21 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.75
LogP ≤ 59.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[3-chloro-2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate;3-chloro-2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]pyridin-4-amine;3-chloro-2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]pyridine-4-carboxylic acid;(3S)-4-(5-chloro-6-fluoro-2-pyridinyl)-3-methylmorpholine;2,6-difluoropyridine;(3S)-4-(6-fluoro-2-pyridinyl)-3-methylmorpholine;(3S)-3-methylmorpholine;2,2,2-trifluoroacetaldehyde
CID 157838334
tert-butyl N-[5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]carbamate;5-chloro-2,3-difluoropyridine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridin-4-amine;5-chloro-3-fluoro-2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid;1-(5-chloro-3-fluoro-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine
CID 157338651
tert-butyl N-(3,5-difluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;3,5-difluoro-2-morpholin-4-ylpyridin-4-amine;3,5-difluoro-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(3,5-difluoro-2-pyridinyl)morpholine;2,3,5-trifluoropyridine
CID 157686853
tert-butyl N-[3-chloro-2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate;3-chloro-2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]pyridin-4-amine;3-chloro-2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]pyridine-4-carboxylic acid;(3S)-4-(5-chloro-6-fluoro-2-pyridinyl)-3-methylmorpholine;2,6-difluoropyridine;(3S)-4-(6-fluoro-2-pyridinyl)-3-methylmorpholine;(3S)-3-methylmorpholine
CID 158151285

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane?
The IUPAC name of tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane (CID 159974880) is tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane.
What is the SMILES notation for tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane?
The canonical SMILES for tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane is C1CCOCC1.Cc1c(N2CCOCC2)ncc(F)c1C(=O)O.Cc1c(N2CCOCC2)ncc(F)c1N.Cc1c(N2CCOCC2)ncc(F)c1NC(=O)OC(C)(C)C.Cc1cc(F)cnc1Cl.Cc1cc(F)cnc1N1CCOCC1.
What is the InChIKey of tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane?
The InChIKey is OFADRNVCAGZPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3.C11H13FN2O3.C10H14FN3O.C10H13FN2O.C6H5ClFN.C5H10O/c1-10-12(18-14(20)22-15(2,3)4)11(16)9-17-13(10)19-5-7-21-8-6-19;1-7-9(11(15)16)8(12)6-13-10(7)14-2-4-17-5-3-14;1-7-9(12)8(11)6-13-10(7)14-2-4-15-5-3-14;1-8-6-9(11)7-12-10(8)13-2-4-14-5-3-13;1-4-2-5(8)3-9-6(4)7;1-2-4-6-5-3-1/h9H,5-8H2,1-4H3,(H,17,18,20);6H,2-5H2,1H3,(H,15,16);6H,2-5H2,1H3,(H2,12,13);6-7H,2-5H2,1H3;2-3H,1H3;1-5H2.
What are the key properties of tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane?
tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane has a molecular weight of 1190.75 g/mol, XLogP of 9.46, 6 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-fluoro-3-methyl-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-5-fluoro-3-methylpyridine;5-fluoro-3-methyl-2-morpholin-4-ylpyridin-4-amine;5-fluoro-3-methyl-2-morpholin-4-ylpyridine-4-carboxylic acid;4-(5-fluoro-3-methyl-2-pyridinyl)morpholine;oxane is sourced from PubChem (CID 159974880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).