7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen

C64H83F2N13O4S2 — CID 153376680

IUPAC7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen
SMILESCCc1cc(OC2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)cc(C)n1.CCc1nc(C)cc(OC2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)n1.Cc1cc(OC2CCN(C(C)c3cnc4c(c3)OCCN4)CC2)cc(C)n1.[H][H]
InChIInChI=1S/C22H27FN4OS.C21H26FN5OS.C21H28N4O2.H2/c1-5-16-11-18(10-13(2)24-16)28-17-6-8-27(9-7-17)14(3)21-19(23)12-20-22(26-21)25-15(4)29-20;1-5-18-23-12(2)10-19(25-18)28-15-6-8-27(9-7-15)13(3)20-16(22)11-17-21(26-20)24-14(4)29-17;1-14-10-19(11-15(2)24-14)27-18-4-7-25(8-5-18)16(3)17-12-20-21(23-13-17)22-6-9-26-20;/h10-12,14,17H,5-9H2,1-4H3;10-11,13,15H,5-9H2,1-4H3;10-13,16,18H,4-9H2,1-3H3,(H,22,23);1H
InChIKeyIPRJFTFTYHAVIP-UHFFFAOYSA-N
MW1200.58 g/mol
LogP13.16
Rot. Bonds14

About 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen

7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen (PubChem CID 153376680) has the molecular formula C64H83F2N13O4S2 and a molecular weight of 1200.58 g/mol. Its IUPAC name is 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen.

Molecular Properties

Compound Name7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen
PubChem CID153376680
Molecular FormulaC64H83F2N13O4S2
Molecular Weight1200.58 g/mol
Exact Mass1199.61
IUPAC Name7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen
SMILESCCc1cc(OC2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)cc(C)n1.CCc1nc(C)cc(OC2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)n1.Cc1cc(OC2CCN(C(C)c3cnc4c(c3)OCCN4)CC2)cc(C)n1.[H][H]
InChIInChI=1S/C22H27FN4OS.C21H26FN5OS.C21H28N4O2.H2/c1-5-16-11-18(10-13(2)24-16)28-17-6-8-27(9-7-17)14(3)21-19(23)12-20-22(26-21)25-15(4)29-20;1-5-18-23-12(2)10-19(25-18)28-15-6-8-27(9-7-15)13(3)20-16(22)11-17-21(26-20)24-14(4)29-17;1-14-10-19(11-15(2)24-14)27-18-4-7-25(8-5-18)16(3)17-12-20-21(23-13-17)22-6-9-26-20;/h10-12,14,17H,5-9H2,1-4H3;10-11,13,15H,5-9H2,1-4H3;10-13,16,18H,4-9H2,1-3H3,(H,22,23);1H
InChIKeyIPRJFTFTYHAVIP-UHFFFAOYSA-N
XLogP13.16
TPSA174.68 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.58
LogP ≤ 513.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen with MolForge

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Related Compounds

2-[2-(Pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
CID 59671536
N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 68110991
3-(2,6-difluorophenyl)-7-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 71547323
6-(Fluoromethyl)-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
CID 90377224
2-(2-fluoroethoxy)-N-[3-[[11-[[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]amino]-3-[[11-[[4-(2-fluoroethoxy)-2-pyridinyl]amino]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-1,3-thiazol-4-amine
CID 123790670
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2-piperazin-1-ylthieno[2,3-b]pyridin-6-amine
CID 156092638
1,4-Dioxane;2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 157840846
Tert-butyl 3-(pyridin-3-yloxymethyl)-4-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperazine-1-carboxylate;2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 161165315
Tert-butyl 3-(pyridin-3-yloxymethyl)-4-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperazine-1-carboxylate;2-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
CID 161982045
2-[3-(difluoromethoxy)-2-pyridinyl]-N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726243
5-[[2-[5-[3-[6-Tert-butylsulfanyl-4-(2,4-diaminopyrimidin-5-yl)oxy-3-pyridinyl]butyl]-1,3-thiazol-2-yl]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
CID 156484191
ethane;N-ethyl-6H-isochromeno[4,3-d]pyrimidin-2-amine;N-ethyl-8-oxa-3-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-8-oxa-3,5,11-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine;N-ethyl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine;N-ethyl-8-oxa-3,5,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine;N-ethyl-8-oxa-3,5,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine
CID 157131122

Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen?
The IUPAC name of 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen (CID 153376680) is 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen.
What is the SMILES notation for 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen?
The canonical SMILES for 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen is CCc1cc(OC2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)cc(C)n1.CCc1nc(C)cc(OC2CCN(C(C)c3nc4nc(C)sc4cc3F)CC2)n1.Cc1cc(OC2CCN(C(C)c3cnc4c(c3)OCCN4)CC2)cc(C)n1.[H][H].
What is the InChIKey of 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen?
The InChIKey is IPRJFTFTYHAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4OS.C21H26FN5OS.C21H28N4O2.H2/c1-5-16-11-18(10-13(2)24-16)28-17-6-8-27(9-7-17)14(3)21-19(23)12-20-22(26-21)25-15(4)29-20;1-5-18-23-12(2)10-19(25-18)28-15-6-8-27(9-7-15)13(3)20-16(22)11-17-21(26-20)24-14(4)29-17;1-14-10-19(11-15(2)24-14)27-18-4-7-25(8-5-18)16(3)17-12-20-21(23-13-17)22-6-9-26-20;/h10-12,14,17H,5-9H2,1-4H3;10-11,13,15H,5-9H2,1-4H3;10-13,16,18H,4-9H2,1-3H3,(H,22,23);1H.
What are the key properties of 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen?
7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen has a molecular weight of 1200.58 g/mol, XLogP of 13.16, 14 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;5-[1-[4-[(2-ethyl-6-methyl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;5-[1-[4-(2-ethyl-6-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethyl]-6-fluoro-2-methyl-[1,3]thiazolo[4,5-b]pyridine;molecular hydrogen is sourced from PubChem (CID 153376680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).