1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

C142H118F12N46O10 — CID 167554146

About 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (PubChem CID 167554146) has the molecular formula C142H118F12N46O10 and a molecular weight of 2856.79 g/mol. Its IUPAC name is 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
• PubChem CID: 167554146
• Molecular Formula: C142H118F12N46O10
• Molecular Weight: 2856.79 g/mol
• Exact Mass: 2854.99
• IUPAC Name: 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CC=C(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)F)c4F)c3n2)C[C@@H]1C.C=CC(=O)N1CCC(c2ncc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3n2)=C[C@@H]1C.C=CC(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)(F)F)c4F)c3n2)=C[C@@H]1C.C=CC(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)F)c4F)c3n2)=C[C@@H]1C.Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(C4=CCN(C(=O)/C=C/CN(C)C)CC4)nc23)c1F
• InChI: InChI=1S/C30H29FN10O2.C28H21F4N9O2.2C28H22F3N9O2.C28H24FN9O2/c1-19-24(43-21-10-14-41-25(15-21)34-18-36-41)7-6-22(27(19)31)37-30-28-23(33-17-35-30)16-32-29(38-28)20-8-12-40(13-9-20)26(42)5-4-11-39(2)3;1-3-22(42)40-8-6-16(10-15(40)2)26-33-12-19-25(39-26)27(36-13-34-19)38-18-4-5-20(23(24(18)29)28(30,31)32)43-17-7-9-41-21(11-17)35-14-37-41;2*1-3-22(41)39-8-6-16(10-15(39)2)27-32-12-19-25(38-27)28(35-13-33-19)37-18-4-5-20(23(24(18)29)26(30)31)42-17-7-9-40-21(11-17)34-14-36-40;1-4-25(39)37-7-5-18(10-17(37)3)27-30-13-22-26(36-27)28(33-14-31-22)35-21-9-16(2)23(12-20(21)29)40-19-6-8-38-24(11-19)32-15-34-38/h4-8,10,14-18H,9,11-13H2,1-3H3,(H,33,35,37);3-5,7,9-15H,1,6,8H2,2H3,(H,34,36,38);3-5,7,9-15,26H,1,6,8H2,2H3,(H,33,35,37);3-7,9,11-15,26H,1,8,10H2,2H3,(H,33,35,37);4,6,8-15,17H,1,5,7H2,2-3H3,(H,31,33,35)/b5-4+;;;;/t;3*15-;17-/m.0000/s1
• InChIKey: CUDSCJVTZADDTC-UUVPKSJUSA-N
• XLogP: 24.69
• TPSA: 619.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 51
• Rotatable Bonds: 34
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2856.79
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (CID 167554146) is 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC=C(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)F)c4F)c3n2)C[C@@H]1C.C=CC(=O)N1CCC(c2ncc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3n2)=C[C@@H]1C.C=CC(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)(F)F)c4F)c3n2)=C[C@@H]1C.C=CC(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C(F)F)c4F)c3n2)=C[C@@H]1C.Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(C4=CCN(C(=O)/C=C/CN(C)C)CC4)nc23)c1F.

What is the InChIKey of 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?

The InChIKey is CUDSCJVTZADDTC-UUVPKSJUSA-N. The full InChI is InChI=1S/C30H29FN10O2.C28H21F4N9O2.2C28H22F3N9O2.C28H24FN9O2/c1-19-24(43-21-10-14-41-25(15-21)34-18-36-41)7-6-22(27(19)31)37-30-28-23(33-17-35-30)16-32-29(38-28)20-8-12-40(13-9-20)26(42)5-4-11-39(2)3;1-3-22(42)40-8-6-16(10-15(40)2)26-33-12-19-25(39-26)27(36-13-34-19)38-18-4-5-20(23(24(18)29)28(30,31)32)43-17-7-9-41-21(11-17)35-14-37-41;2*1-3-22(41)39-8-6-16(10-15(39)2)27-32-12-19-25(38-27)28(35-13-33-19)37-18-4-5-20(23(24(18)29)26(30)31)42-17-7-9-40-21(11-17)34-14-36-40;1-4-25(39)37-7-5-18(10-17(37)3)27-30-13-22-26(36-27)28(33-14-31-22)35-21-9-16(2)23(12-20(21)29)40-19-6-8-38-24(11-19)32-15-34-38/h4-8,10,14-18H,9,11-13H2,1-3H3,(H,33,35,37);3-5,7,9-15H,1,6,8H2,2H3,(H,34,36,38);3-5,7,9-15,26H,1,6,8H2,2H3,(H,33,35,37);3-7,9,11-15,26H,1,8,10H2,2H3,(H,33,35,37);4,6,8-15,17H,1,5,7H2,2-3H3,(H,31,33,35)/b5-4+;;;;/t;3*15-;17-/m.0000/s1.

What are the key properties of 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?

1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one has a molecular weight of 2856.79 g/mol, XLogP of 24.69, 34 rotatable bonds, 5 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[3-(difluoromethyl)-2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[(6S)-4-[4-[2-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-(trifluoromethyl)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 167554146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).