3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine

C228H254N40O16S9 — CID 158487747

IUPAC3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine
SMILESC#Cc1cc(COc2cc(-c3cnc(C4CCN(C)CC4)s3)cnc2N)ccn1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(C)CCCC5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(C)CCCCC5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCC5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCN(C)C5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCN(C)C5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#N)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccccc1
InChIInChI=1S/C30H36N4OS.C29H33N5O3S.C29H34N4OS.C28H31N5O3S.C28H30N4O3S.2C22H23N5OS.C20H23N5OS.C20H21N3O2S/c1-30(12-4-3-5-13-30)14-9-22-7-6-8-23(17-22)21-35-26-18-25(19-32-28(26)31)27-20-33-29(36-27)24-10-15-34(2)16-11-24;1-33-13-8-22(9-14-33)27-32-18-25(38-27)23-16-24(26(30)31-17-23)37-19-21-6-3-5-20(15-21)7-11-29(36)10-4-12-34(2)28(29)35;1-29(11-3-4-12-29)13-8-21-6-5-7-22(16-21)20-34-25-17-24(18-31-27(25)30)26-19-32-28(35-26)23-9-14-33(2)15-10-23;1-32-11-7-21(8-12-32)26-31-17-24(37-26)22-15-23(25(29)30-16-22)36-18-20-5-3-4-19(14-20)6-9-28(35)10-13-33(2)27(28)34;1-32-12-8-21(9-13-32)27-31-17-24(36-27)22-15-23(26(29)30-16-22)35-18-20-5-2-4-19(14-20)7-11-28(34)10-3-6-25(28)33;1-27-7-5-17(6-8-27)22-26-13-20(29-22)18-10-19(21(24)25-12-18)28-14-16-4-2-3-15(9-16)11-23;1-3-18-10-15(4-7-24-18)14-28-19-11-17(12-25-21(19)23)20-13-26-22(29-20)16-5-8-27(2)9-6-16;1-25-8-4-15(5-9-25)20-24-12-18(27-20)16-10-17(19(21)23-11-16)26-13-14-2-6-22-7-3-14;21-19-17(25-13-14-4-2-1-3-5-14)10-16(11-22-19)18-12-23-20(26-18)15-6-8-24-9-7-15/h6-8,17-20,24H,3-5,10-13,15-16,21H2,1-2H3,(H2,31,32);3,5-6,15-18,22,36H,4,8-10,12-14,19H2,1-2H3,(H2,30,31);5-7,16-19,23H,3-4,9-12,14-15,20H2,1-2H3,(H2,30,31);3-5,14-17,21,35H,7-8,10-13,18H2,1-2H3,(H2,29,30);2,4-5,14-17,21,34H,3,6,8-10,12-13,18H2,1H3,(H2,29,30);2-4,9-10,12-13,17H,5-8,14H2,1H3,(H2,24,25);1,4,7,10-13,16H,5-6,8-9,14H2,2H3,(H2,23,25);2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H2,21,23);1-5,10-12,15H,6-9,13H2,(H2,21,22)
InChIKeyHIHSTXJFVPBQHL-UHFFFAOYSA-N
MW4099.41 g/mol
LogP38.68
Rot. Bonds45

About 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine

3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine (PubChem CID 158487747) has the molecular formula C228H254N40O16S9 and a molecular weight of 4099.41 g/mol. Its IUPAC name is 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine
PubChem CID158487747
Molecular FormulaC228H254N40O16S9
Molecular Weight4099.41 g/mol
Exact Mass4095.78
IUPAC Name3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine
SMILESC#Cc1cc(COc2cc(-c3cnc(C4CCN(C)CC4)s3)cnc2N)ccn1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(C)CCCC5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(C)CCCCC5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCC5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCN(C)C5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCN(C)C5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#N)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccccc1
InChIInChI=1S/C30H36N4OS.C29H33N5O3S.C29H34N4OS.C28H31N5O3S.C28H30N4O3S.2C22H23N5OS.C20H23N5OS.C20H21N3O2S/c1-30(12-4-3-5-13-30)14-9-22-7-6-8-23(17-22)21-35-26-18-25(19-32-28(26)31)27-20-33-29(36-27)24-10-15-34(2)16-11-24;1-33-13-8-22(9-14-33)27-32-18-25(38-27)23-16-24(26(30)31-17-23)37-19-21-6-3-5-20(15-21)7-11-29(36)10-4-12-34(2)28(29)35;1-29(11-3-4-12-29)13-8-21-6-5-7-22(16-21)20-34-25-17-24(18-31-27(25)30)26-19-32-28(35-26)23-9-14-33(2)15-10-23;1-32-11-7-21(8-12-32)26-31-17-24(37-26)22-15-23(25(29)30-16-22)36-18-20-5-3-4-19(14-20)6-9-28(35)10-13-33(2)27(28)34;1-32-12-8-21(9-13-32)27-31-17-24(36-27)22-15-23(26(29)30-16-22)35-18-20-5-2-4-19(14-20)7-11-28(34)10-3-6-25(28)33;1-27-7-5-17(6-8-27)22-26-13-20(29-22)18-10-19(21(24)25-12-18)28-14-16-4-2-3-15(9-16)11-23;1-3-18-10-15(4-7-24-18)14-28-19-11-17(12-25-21(19)23)20-13-26-22(29-20)16-5-8-27(2)9-6-16;1-25-8-4-15(5-9-25)20-24-12-18(27-20)16-10-17(19(21)23-11-16)26-13-14-2-6-22-7-3-14;21-19-17(25-13-14-4-2-1-3-5-14)10-16(11-22-19)18-12-23-20(26-18)15-6-8-24-9-7-15/h6-8,17-20,24H,3-5,10-13,15-16,21H2,1-2H3,(H2,31,32);3,5-6,15-18,22,36H,4,8-10,12-14,19H2,1-2H3,(H2,30,31);5-7,16-19,23H,3-4,9-12,14-15,20H2,1-2H3,(H2,30,31);3-5,14-17,21,35H,7-8,10-13,18H2,1-2H3,(H2,29,30);2,4-5,14-17,21,34H,3,6,8-10,12-13,18H2,1H3,(H2,29,30);2-4,9-10,12-13,17H,5-8,14H2,1H3,(H2,24,25);1,4,7,10-13,16H,5-6,8-9,14H2,2H3,(H2,23,25);2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H2,21,23);1-5,10-12,15H,6-9,13H2,(H2,21,22)
InChIKeyHIHSTXJFVPBQHL-UHFFFAOYSA-N
XLogP38.68
TPSA752.37 Ų
H-Bond Donors12
H-Bond Acceptors63
Rotatable Bonds45
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004099.41
LogP ≤ 538.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine?
The IUPAC name of 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine (CID 158487747) is 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine?
The canonical SMILES for 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine is C#Cc1cc(COc2cc(-c3cnc(C4CCN(C)CC4)s3)cnc2N)ccn1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(C)CCCC5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(C)CCCCC5)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCC5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCN(C)C5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCN(C)C5=O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#N)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1.Nc1ncc(-c2cnc(C3CCOCC3)s2)cc1OCc1ccccc1.
What is the InChIKey of 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine?
The InChIKey is HIHSTXJFVPBQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4OS.C29H33N5O3S.C29H34N4OS.C28H31N5O3S.C28H30N4O3S.2C22H23N5OS.C20H23N5OS.C20H21N3O2S/c1-30(12-4-3-5-13-30)14-9-22-7-6-8-23(17-22)21-35-26-18-25(19-32-28(26)31)27-20-33-29(36-27)24-10-15-34(2)16-11-24;1-33-13-8-22(9-14-33)27-32-18-25(38-27)23-16-24(26(30)31-17-23)37-19-21-6-3-5-20(15-21)7-11-29(36)10-4-12-34(2)28(29)35;1-29(11-3-4-12-29)13-8-21-6-5-7-22(16-21)20-34-25-17-24(18-31-27(25)30)26-19-32-28(35-26)23-9-14-33(2)15-10-23;1-32-11-7-21(8-12-32)26-31-17-24(37-26)22-15-23(25(29)30-16-22)36-18-20-5-3-4-19(14-20)6-9-28(35)10-13-33(2)27(28)34;1-32-12-8-21(9-13-32)27-31-17-24(36-27)22-15-23(26(29)30-16-22)35-18-20-5-2-4-19(14-20)7-11-28(34)10-3-6-25(28)33;1-27-7-5-17(6-8-27)22-26-13-20(29-22)18-10-19(21(24)25-12-18)28-14-16-4-2-3-15(9-16)11-23;1-3-18-10-15(4-7-24-18)14-28-19-11-17(12-25-21(19)23)20-13-26-22(29-20)16-5-8-27(2)9-6-16;1-25-8-4-15(5-9-25)20-24-12-18(27-20)16-10-17(19(21)23-11-16)26-13-14-2-6-22-7-3-14;21-19-17(25-13-14-4-2-1-3-5-14)10-16(11-22-19)18-12-23-20(26-18)15-6-8-24-9-7-15/h6-8,17-20,24H,3-5,10-13,15-16,21H2,1-2H3,(H2,31,32);3,5-6,15-18,22,36H,4,8-10,12-14,19H2,1-2H3,(H2,30,31);5-7,16-19,23H,3-4,9-12,14-15,20H2,1-2H3,(H2,30,31);3-5,14-17,21,35H,7-8,10-13,18H2,1-2H3,(H2,29,30);2,4-5,14-17,21,34H,3,6,8-10,12-13,18H2,1H3,(H2,29,30);2-4,9-10,12-13,17H,5-8,14H2,1H3,(H2,24,25);1,4,7,10-13,16H,5-6,8-9,14H2,2H3,(H2,23,25);2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H2,21,23);1-5,10-12,15H,6-9,13H2,(H2,21,22).
What are the key properties of 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine?
3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine has a molecular weight of 4099.41 g/mol, XLogP of 38.68, 45 rotatable bonds, 12 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]benzonitrile;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one;3-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one;3-[(2-ethynyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclohexyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;3-[[3-[2-(1-methylcyclopentyl)ethynyl]phenyl]methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine;5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 158487747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).