1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one

C171H208F11N45O17 — CID 167544405

IUPAC1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(CC5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(CC5COCCO5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@@H]5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5COCCO5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2C)ccn1
InChIInChI=1S/3C30H37F3N8O2.2C28H35N7O4.C25H27F2N7O3/c3*1-18(42)11-21-12-22(7-9-34-21)43-23-14-35-27-26(19(23)2)39(6)28(37-27)36-25-13-24(29(3,4)5)41(38-25)16-20-8-10-40(15-20)17-30(31,32)33;2*1-17(36)11-19-12-20(7-8-29-19)39-22-14-30-26-25(18(22)2)34(6)27(32-26)31-24-13-23(28(3,4)5)35(33-24)15-21-16-37-9-10-38-21;1-14(35)9-16-10-18(5-7-28-16)37-19-12-29-23-22(15(19)2)33(4)24(31-23)30-21-11-20(25(3,26)27)34(32-21)17-6-8-36-13-17/h3*7,9,12-14,20H,8,10-11,15-17H2,1-6H3,(H,35,36,37,38);2*7-8,12-14,21H,9-11,15-16H2,1-6H3,(H,30,31,32,33);5,7,10-12,17H,6,8-9,13H2,1-4H3,(H,29,30,31,32)/t2*20-;;21-;;17-/m10.0.0/s1
InChIKeyBPHAODNEMFMWFS-PYIJGQIBSA-N
MW3374.82 g/mol
LogP30.26
Rot. Bonds51

About 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one

1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 167544405) has the molecular formula C171H208F11N45O17 and a molecular weight of 3374.82 g/mol. Its IUPAC name is 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
PubChem CID167544405
Molecular FormulaC171H208F11N45O17
Molecular Weight3374.82 g/mol
Exact Mass3372.66
IUPAC Name1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(CC5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(CC5COCCO5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@@H]5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5COCCO5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2C)ccn1
InChIInChI=1S/3C30H37F3N8O2.2C28H35N7O4.C25H27F2N7O3/c3*1-18(42)11-21-12-22(7-9-34-21)43-23-14-35-27-26(19(23)2)39(6)28(37-27)36-25-13-24(29(3,4)5)41(38-25)16-20-8-10-40(15-20)17-30(31,32)33;2*1-17(36)11-19-12-20(7-8-29-19)39-22-14-30-26-25(18(22)2)34(6)27(32-26)31-24-13-23(28(3,4)5)35(33-24)15-21-16-37-9-10-38-21;1-14(35)9-16-10-18(5-7-28-16)37-19-12-29-23-22(15(19)2)33(4)24(31-23)30-21-11-20(25(3,26)27)34(32-21)17-6-8-36-13-17/h3*7,9,12-14,20H,8,10-11,15-17H2,1-6H3,(H,35,36,37,38);2*7-8,12-14,21H,9-11,15-16H2,1-6H3,(H,30,31,32,33);5,7,10-12,17H,6,8-9,13H2,1-4H3,(H,29,30,31,32)/t2*20-;;21-;;17-/m10.0.0/s1
InChIKeyBPHAODNEMFMWFS-PYIJGQIBSA-N
XLogP30.26
TPSA654.37 Ų
H-Bond Donors6
H-Bond Acceptors62
Rotatable Bonds51
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003374.82
LogP ≤ 530.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1062

Analyze 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one (CID 167544405) is 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(CC5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(CC5COCCO5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@@H]5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCN(CC(F)(F)F)C5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5COCCO5)n4)n(C)c3c2C)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2C)ccn1.
What is the InChIKey of 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?
The InChIKey is BPHAODNEMFMWFS-PYIJGQIBSA-N. The full InChI is InChI=1S/3C30H37F3N8O2.2C28H35N7O4.C25H27F2N7O3/c3*1-18(42)11-21-12-22(7-9-34-21)43-23-14-35-27-26(19(23)2)39(6)28(37-27)36-25-13-24(29(3,4)5)41(38-25)16-20-8-10-40(15-20)17-30(31,32)33;2*1-17(36)11-19-12-20(7-8-29-19)39-22-14-30-26-25(18(22)2)34(6)27(32-26)31-24-13-23(28(3,4)5)35(33-24)15-21-16-37-9-10-38-21;1-14(35)9-16-10-18(5-7-28-16)37-19-12-29-23-22(15(19)2)33(4)24(31-23)30-21-11-20(25(3,26)27)34(32-21)17-6-8-36-13-17/h3*7,9,12-14,20H,8,10-11,15-17H2,1-6H3,(H,35,36,37,38);2*7-8,12-14,21H,9-11,15-16H2,1-6H3,(H,30,31,32,33);5,7,10-12,17H,6,8-9,13H2,1-4H3,(H,29,30,31,32)/t2*20-;;21-;;17-/m10.0.0/s1.
What are the key properties of 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?
1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 3374.82 g/mol, XLogP of 30.26, 51 rotatable bonds, 6 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[5-tert-butyl-1-(1,4-dioxan-2-ylmethyl)pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1,7-dimethylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 167544405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).