4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine

C147H165FN28O15S6 — CID 157136213

IUPAC4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESCN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)O)nc5c4OCO5)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)O)ncc4F)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCCC5=O)c4)c3)s2)CC1.COc1cnc(C#CC(C)(C)O)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N.Cc1cnc(C#CC(C)(C)O)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N.Cc1ncc(-c2cnc(N)c(OCc3ccncc3)c2)s1
InChIInChI=1S/C29H32N4O3S.C26H29N5O4S.C26H31N5O3S.C26H31N5O2S.C25H28FN5O2S.C15H14N4OS/c1-33-13-9-22(10-14-33)28-32-18-25(37-28)23-16-24(27(30)31-17-23)36-19-21-6-4-5-20(15-21)8-12-29(35)11-3-2-7-26(29)34;1-26(2,32)7-4-19-10-18(22-24(30-19)35-15-34-22)14-33-20-11-17(12-28-23(20)27)21-13-29-25(36-21)16-5-8-31(3)9-6-16;1-26(2,32)8-5-20-11-19(22(33-4)14-28-20)16-34-21-12-18(13-29-24(21)27)23-15-30-25(35-23)17-6-9-31(3)10-7-17;1-17-13-28-21(5-8-26(2,3)32)11-20(17)16-33-22-12-19(14-29-24(22)27)23-15-30-25(34-23)18-6-9-31(4)10-7-18;1-25(2,32)7-4-19-10-18(20(26)13-28-19)15-33-21-11-17(12-29-23(21)27)22-14-30-24(34-22)16-5-8-31(3)9-6-16;1-10-18-8-14(21-10)12-6-13(15(16)19-7-12)20-9-11-2-4-17-5-3-11/h4-6,15-18,22,35H,2-3,7,9-11,13-14,19H2,1H3,(H2,30,31);10-13,16,32H,5-6,8-9,14-15H2,1-3H3,(H2,27,28);11-15,17,32H,6-7,9-10,16H2,1-4H3,(H2,27,29);11-15,18,32H,6-7,9-10,16H2,1-4H3,(H2,27,29);10-14,16,32H,5-6,8-9,15H2,1-3H3,(H2,27,29);2-8H,9H2,1H3,(H2,16,19)
InChIKeyAJQPLXUTDBZSFN-UHFFFAOYSA-N
MW2775.52 g/mol
LogP22.43
Rot. Bonds30

About 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine

4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine (PubChem CID 157136213) has the molecular formula C147H165FN28O15S6 and a molecular weight of 2775.52 g/mol. Its IUPAC name is 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
PubChem CID157136213
Molecular FormulaC147H165FN28O15S6
Molecular Weight2775.52 g/mol
Exact Mass2773.13
IUPAC Name4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESCN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)O)nc5c4OCO5)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)O)ncc4F)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCCC5=O)c4)c3)s2)CC1.COc1cnc(C#CC(C)(C)O)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N.Cc1cnc(C#CC(C)(C)O)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N.Cc1ncc(-c2cnc(N)c(OCc3ccncc3)c2)s1
InChIInChI=1S/C29H32N4O3S.C26H29N5O4S.C26H31N5O3S.C26H31N5O2S.C25H28FN5O2S.C15H14N4OS/c1-33-13-9-22(10-14-33)28-32-18-25(37-28)23-16-24(27(30)31-17-23)36-19-21-6-4-5-20(15-21)8-12-29(35)11-3-2-7-26(29)34;1-26(2,32)7-4-19-10-18(22-24(30-19)35-15-34-22)14-33-20-11-17(12-28-23(20)27)21-13-29-25(36-21)16-5-8-31(3)9-6-16;1-26(2,32)8-5-20-11-19(22(33-4)14-28-20)16-34-21-12-18(13-29-24(21)27)23-15-30-25(35-23)17-6-9-31(3)10-7-17;1-17-13-28-21(5-8-26(2,3)32)11-20(17)16-33-22-12-19(14-29-24(22)27)23-15-30-25(34-23)18-6-9-31(4)10-7-18;1-25(2,32)7-4-19-10-18(20(26)13-28-19)15-33-21-11-17(12-29-23(21)27)22-14-30-24(34-22)16-5-8-31(3)9-6-16;1-10-18-8-14(21-10)12-6-13(15(16)19-7-12)20-9-11-2-4-17-5-3-11/h4-6,15-18,22,35H,2-3,7,9-11,13-14,19H2,1H3,(H2,30,31);10-13,16,32H,5-6,8-9,14-15H2,1-3H3,(H2,27,28);11-15,17,32H,6-7,9-10,16H2,1-4H3,(H2,27,29);11-15,18,32H,6-7,9-10,16H2,1-4H3,(H2,27,29);10-14,16,32H,5-6,8-9,15H2,1-3H3,(H2,27,29);2-8H,9H2,1H3,(H2,16,19)
InChIKeyAJQPLXUTDBZSFN-UHFFFAOYSA-N
XLogP22.43
TPSA592.74 Ų
H-Bond Donors11
H-Bond Acceptors49
Rotatable Bonds30
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002775.52
LogP ≤ 522.43
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The IUPAC name of 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine (CID 157136213) is 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine is CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)O)nc5c4OCO5)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cc(C#CC(C)(C)O)ncc4F)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4cccc(C#CC5(O)CCCCC5=O)c4)c3)s2)CC1.COc1cnc(C#CC(C)(C)O)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N.Cc1cnc(C#CC(C)(C)O)cc1COc1cc(-c2cnc(C3CCN(C)CC3)s2)cnc1N.Cc1ncc(-c2cnc(N)c(OCc3ccncc3)c2)s1.
What is the InChIKey of 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The InChIKey is AJQPLXUTDBZSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3S.C26H29N5O4S.C26H31N5O3S.C26H31N5O2S.C25H28FN5O2S.C15H14N4OS/c1-33-13-9-22(10-14-33)28-32-18-25(37-28)23-16-24(27(30)31-17-23)36-19-21-6-4-5-20(15-21)8-12-29(35)11-3-2-7-26(29)34;1-26(2,32)7-4-19-10-18(22-24(30-19)35-15-34-22)14-33-20-11-17(12-28-23(20)27)21-13-29-25(36-21)16-5-8-31(3)9-6-16;1-26(2,32)8-5-20-11-19(22(33-4)14-28-20)16-34-21-12-18(13-29-24(21)27)23-15-30-25(35-23)17-6-9-31(3)10-7-17;1-17-13-28-21(5-8-26(2,3)32)11-20(17)16-33-22-12-19(14-29-24(22)27)23-15-30-25(34-23)18-6-9-31(4)10-7-18;1-25(2,32)7-4-19-10-18(20(26)13-28-19)15-33-21-11-17(12-29-23(21)27)22-14-30-24(34-22)16-5-8-31(3)9-6-16;1-10-18-8-14(21-10)12-6-13(15(16)19-7-12)20-9-11-2-4-17-5-3-11/h4-6,15-18,22,35H,2-3,7,9-11,13-14,19H2,1H3,(H2,30,31);10-13,16,32H,5-6,8-9,14-15H2,1-3H3,(H2,27,28);11-15,17,32H,6-7,9-10,16H2,1-4H3,(H2,27,29);11-15,18,32H,6-7,9-10,16H2,1-4H3,(H2,27,29);10-14,16,32H,5-6,8-9,15H2,1-3H3,(H2,27,29);2-8H,9H2,1H3,(H2,16,19).
What are the key properties of 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine has a molecular weight of 2775.52 g/mol, XLogP of 22.43, 30 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-[1,3]dioxolo[4,5-b]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-fluoro-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methoxy-2-pyridinyl]-2-methylbut-3-yn-2-ol;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-5-methyl-2-pyridinyl]-2-methylbut-3-yn-2-ol;2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclohexan-1-one;5-(2-methyl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 157136213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).