7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine

C140H215N19O6S3 — CID 158621238

IUPAC7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine
SMILESCC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(N2CCS(=O)CC2)nc1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1cnc2c(c1)OCCN2.CC(C)c1ccc(N2CCCN(C)CC2)nc1.CC(C)c1ccc(N2CCSCC2)nc1.CC(C)c1ccnc(C(C)(C)O)c1.CC(C)c1ccnc(C(C)C)c1.CCN1CCOc2cc(C(C)C)cnc21.CCc1cc(C(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)C)cc(C)n1
InChIInChI=1S/C14H23N3.C13H20N2O2S.C13H20N2OS.C13H21N.C12H18N2O.C12H18N2S.C11H16N2O.C11H17NO.C11H17N.3C10H15N/c1-12(2)13-5-6-14(15-11-13)17-8-4-7-16(3)9-10-17;1-13(2,3)11-4-5-12(14-10-11)15-6-8-18(16,17)9-7-15;1-13(2,3)11-4-5-12(14-10-11)15-6-8-17(16)9-7-15;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-4-14-5-6-15-11-7-10(9(2)3)8-13-12(11)14;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-11(2,3)8-6-9-10(13-7-8)12-4-5-14-9;1-8(2)9-5-6-12-10(7-9)11(3,4)13;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-8-7-9(5-6-11-8)10(2,3)4;1-4-10-7-9(8(2)3)5-6-11-10/h5-6,11-12H,4,7-10H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;7-9H,1-6H3;7-9H,4-6H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;6-7H,4-5H2,1-3H3,(H,12,13);5-8,13H,1-4H3;5-9H,1-4H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3
InChIKeyHYAFQZVDNBQECZ-UHFFFAOYSA-N
MW2356.59 g/mol
LogP30.99
Rot. Bonds15

About 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine

7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine (PubChem CID 158621238) has the molecular formula C140H215N19O6S3 and a molecular weight of 2356.59 g/mol. Its IUPAC name is 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine.

Molecular Properties

Compound Name7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine
PubChem CID158621238
Molecular FormulaC140H215N19O6S3
Molecular Weight2356.59 g/mol
Exact Mass2354.63
IUPAC Name7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine
SMILESCC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(N2CCS(=O)CC2)nc1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1cnc2c(c1)OCCN2.CC(C)c1ccc(N2CCCN(C)CC2)nc1.CC(C)c1ccc(N2CCSCC2)nc1.CC(C)c1ccnc(C(C)(C)O)c1.CC(C)c1ccnc(C(C)C)c1.CCN1CCOc2cc(C(C)C)cnc21.CCc1cc(C(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)C)cc(C)n1
InChIInChI=1S/C14H23N3.C13H20N2O2S.C13H20N2OS.C13H21N.C12H18N2O.C12H18N2S.C11H16N2O.C11H17NO.C11H17N.3C10H15N/c1-12(2)13-5-6-14(15-11-13)17-8-4-7-16(3)9-10-17;1-13(2,3)11-4-5-12(14-10-11)15-6-8-18(16,17)9-7-15;1-13(2,3)11-4-5-12(14-10-11)15-6-8-17(16)9-7-15;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-4-14-5-6-15-11-7-10(9(2)3)8-13-12(11)14;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-11(2,3)8-6-9-10(13-7-8)12-4-5-14-9;1-8(2)9-5-6-12-10(7-9)11(3,4)13;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-8-7-9(5-6-11-8)10(2,3)4;1-4-10-7-9(8(2)3)5-6-11-10/h5-6,11-12H,4,7-10H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;7-9H,1-6H3;7-9H,4-6H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;6-7H,4-5H2,1-3H3,(H,12,13);5-8,13H,1-4H3;5-9H,1-4H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3
InChIKeyHYAFQZVDNBQECZ-UHFFFAOYSA-N
XLogP30.99
TPSA276.05 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002356.59
LogP ≤ 530.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20240025922, Example 51
CID 170324410
N-[5-[3-[3-[2-amino-4-[2-(2-morpholin-4-yl-4-pyridinyl)-4-pyridin-2-yl-3-pyridinyl]-3-pyridinyl]-5-methoxy-2-pyridinyl]-5-methylsulfonyl-2-pyridinyl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 123733253
4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-ethyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;1-methylsulfonyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;2-piperidin-1-yl-5-propan-2-ylpyridine;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;2-(5-propan-2-yl-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1-oxide
CID 157132707
N,N-diethyl-3-propan-2-ylpyridin-2-amine;N,3-di(propan-2-yl)pyridin-2-amine;5-[(2-methylpropan-2-yl)oxy]-2-propan-2-ylpyridine;N-(2-methylpropyl)-3-propan-2-ylpyridin-2-amine;2-propan-2-yl-5-propan-2-yloxypyridine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 157196715
6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
CID 157480020
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);heptakis(2-methylpropane);2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;7-propan-2-yl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine;tetrakis(1,2,3,4-tetrahydro-1,8-naphthyridine)
CID 157660929
7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;1-tert-butyl-3-methylbenzene;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane;4-(5-tert-butyl-2-pyridinyl)-1-methylidene-1,4-thiazinane 1-oxide;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;methane;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-piperidin-1-yl-5-propan-2-ylpyridine
CID 159061745
4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;4-[4-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]oxan-4-ol;N,N-dimethyl-1-[3-(oxan-4-yloxy)-6-propan-2-yl-2-pyridinyl]methanamine;N,N-dimethyl-1-[3-(oxan-4-yl)-6-propan-2-yl-2-pyridinyl]methanamine;2,2-dimethyl-1-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine;N,N-dimethyl-4-(6-propan-2-yl-3-pyridinyl)oxan-4-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)oxan-4-yl]oxyethanamine;1-methyl-4-(2-methyl-6-propan-2-yl-3-pyridinyl)piperazine;1-methyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine;1-methyl-4-(6-propan-2-yl-2-pyridinyl)piperazine;1-methyl-4-(6-propan-2-yl-3-pyridinyl)piperazine;2-[(2S)-1-methyl-4-(6-propan-2-yl-3-pyridinyl)piperazin-2-yl]propan-2-ol
CID 159217010
6-methyl-7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-methyl-6-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;3-methyl-2-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;bis(6-methyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);bis(7-methyl-6-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);6-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;2-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;3-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;bis(6-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine);bis(7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine)
CID 159567561
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 160735769
(3R,4R)-4-[[5-[1-[(6-ethoxy-3-pyridinyl)methyl]-4-methylpiperidin-4-yl]-2,6-naphthyridin-3-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 178016972

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine?
The IUPAC name of 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine (CID 158621238) is 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine.
What is the SMILES notation for 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine?
The canonical SMILES for 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine is CC(C)(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)(C)c1ccc(N2CCS(=O)CC2)nc1.CC(C)(C)c1ccnc(C(C)(C)C)c1.CC(C)(C)c1cnc2c(c1)OCCN2.CC(C)c1ccc(N2CCCN(C)CC2)nc1.CC(C)c1ccc(N2CCSCC2)nc1.CC(C)c1ccnc(C(C)(C)O)c1.CC(C)c1ccnc(C(C)C)c1.CCN1CCOc2cc(C(C)C)cnc21.CCc1cc(C(C)C)ccn1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)C)cc(C)n1.
What is the InChIKey of 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine?
The InChIKey is HYAFQZVDNBQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C13H20N2O2S.C13H20N2OS.C13H21N.C12H18N2O.C12H18N2S.C11H16N2O.C11H17NO.C11H17N.3C10H15N/c1-12(2)13-5-6-14(15-11-13)17-8-4-7-16(3)9-10-17;1-13(2,3)11-4-5-12(14-10-11)15-6-8-18(16,17)9-7-15;1-13(2,3)11-4-5-12(14-10-11)15-6-8-17(16)9-7-15;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;1-4-14-5-6-15-11-7-10(9(2)3)8-13-12(11)14;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-11(2,3)8-6-9-10(13-7-8)12-4-5-14-9;1-8(2)9-5-6-12-10(7-9)11(3,4)13;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-8-7-9(5-6-11-8)10(2,3)4;1-4-10-7-9(8(2)3)5-6-11-10/h5-6,11-12H,4,7-10H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-5,10H,6-9H2,1-3H3;7-9H,1-6H3;7-9H,4-6H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;6-7H,4-5H2,1-3H3,(H,12,13);5-8,13H,1-4H3;5-9H,1-4H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3.
What are the key properties of 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine?
7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine has a molecular weight of 2356.59 g/mol, XLogP of 30.99, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1-oxide;2,4-ditert-butylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;4-ethyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-ethyl-4-propan-2-ylpyridine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)-1,4-diazepane;2-(4-propan-2-yl-2-pyridinyl)propan-2-ol;4-(5-propan-2-yl-2-pyridinyl)thiomorpholine is sourced from PubChem (CID 158621238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).