(E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one

C117H98F4N38O8 — CID 167574287

IUPAC(E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one
SMILESC/C=C(\C#N)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C(C#N)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C(C)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C=CC(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C
InChIInChI=1S/C30H25FN10O2.C29H23FN10O2.C29H26FN9O2.C29H24FN9O2/c1-4-19(13-32)30(42)40-9-7-20(11-17(40)2)28-33-14-23-27(39-28)29(36-15-34-23)38-22-5-6-24(18(3)26(22)31)43-21-8-10-41-25(12-21)35-16-37-41;1-16(12-31)29(41)39-8-6-19(10-17(39)2)27-32-13-22-26(38-27)28(35-14-33-22)37-21-4-5-23(18(3)25(21)30)42-20-7-9-40-24(11-20)34-15-36-40;1-16(2)29(40)38-9-7-19(11-17(38)3)27-31-13-22-26(37-27)28(34-14-32-22)36-21-5-6-23(18(4)25(21)30)41-20-8-10-39-24(12-20)33-15-35-39;1-4-5-25(40)38-10-8-19(12-17(38)2)28-31-14-22-27(37-28)29(34-15-32-22)36-21-6-7-23(18(3)26(21)30)41-20-9-11-39-24(13-20)33-16-35-39/h4-6,8,10-12,14-17H,7,9H2,1-3H3,(H,34,36,38);4-5,7,9-11,13-15,17H,1,6,8H2,2-3H3,(H,33,35,37);5-6,8,10-15,17H,1,7,9H2,2-4H3,(H,32,34,36);5-7,9,11-17H,1,8,10H2,2-3H3,(H,32,34,36)/b19-4+;;;/t4*17-/m0000/s1
InChIKeyGHWLYPIIGGOGFT-VOAOCLNVSA-N
MW2240.32 g/mol
LogP19.27
Rot. Bonds24

About (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one

(E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one (PubChem CID 167574287) has the molecular formula C117H98F4N38O8 and a molecular weight of 2240.32 g/mol. Its IUPAC name is (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one
PubChem CID167574287
Molecular FormulaC117H98F4N38O8
Molecular Weight2240.32 g/mol
Exact Mass2238.84
IUPAC Name(E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one
SMILESC/C=C(\C#N)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C(C#N)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C(C)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C=CC(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C
InChIInChI=1S/C30H25FN10O2.C29H23FN10O2.C29H26FN9O2.C29H24FN9O2/c1-4-19(13-32)30(42)40-9-7-20(11-17(40)2)28-33-14-23-27(39-28)29(36-15-34-23)38-22-5-6-24(18(3)26(22)31)43-21-8-10-41-25(12-21)35-16-37-41;1-16(12-31)29(41)39-8-6-19(10-17(39)2)27-32-13-22-26(38-27)28(35-14-33-22)37-21-4-5-23(18(3)25(21)30)42-20-7-9-40-24(11-20)34-15-36-40;1-16(2)29(40)38-9-7-19(11-17(38)3)27-31-13-22-26(37-27)28(34-14-32-22)36-21-5-6-23(18(4)25(21)30)41-20-8-10-39-24(12-20)33-15-35-39;1-4-5-25(40)38-10-8-19(12-17(38)2)28-31-14-22-27(37-28)29(34-15-32-22)36-21-6-7-23(18(3)26(21)30)41-20-9-11-39-24(13-20)33-16-35-39/h4-6,8,10-12,14-17H,7,9H2,1-3H3,(H,34,36,38);4-5,7,9-11,13-15,17H,1,6,8H2,2-3H3,(H,33,35,37);5-6,8,10-15,17H,1,7,9H2,2-4H3,(H,32,34,36);5-7,9,11-17H,1,8,10H2,2-3H3,(H,32,34,36)/b19-4+;;;/t4*17-/m0000/s1
InChIKeyGHWLYPIIGGOGFT-VOAOCLNVSA-N
XLogP19.27
TPSA540.86 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002240.32
LogP ≤ 519.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one?
The IUPAC name of (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one (CID 167574287) is (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one.
What is the SMILES notation for (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one?
The canonical SMILES for (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one is C/C=C(\C#N)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C(C#N)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C(C)C(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.C=C=CC(=O)N1CCC(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)=C[C@@H]1C.
What is the InChIKey of (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one?
The InChIKey is GHWLYPIIGGOGFT-VOAOCLNVSA-N. The full InChI is InChI=1S/C30H25FN10O2.C29H23FN10O2.C29H26FN9O2.C29H24FN9O2/c1-4-19(13-32)30(42)40-9-7-20(11-17(40)2)28-33-14-23-27(39-28)29(36-15-34-23)38-22-5-6-24(18(3)26(22)31)43-21-8-10-41-25(12-21)35-16-37-41;1-16(12-31)29(41)39-8-6-19(10-17(39)2)27-32-13-22-26(38-27)28(35-14-33-22)37-21-4-5-23(18(3)25(21)30)42-20-7-9-40-24(11-20)34-15-36-40;1-16(2)29(40)38-9-7-19(11-17(38)3)27-31-13-22-26(37-27)28(34-14-32-22)36-21-5-6-23(18(4)25(21)30)41-20-8-10-39-24(12-20)33-15-35-39;1-4-5-25(40)38-10-8-19(12-17(38)2)28-31-14-22-27(37-28)29(34-15-32-22)36-21-6-7-23(18(3)26(21)30)41-20-9-11-39-24(13-20)33-16-35-39/h4-6,8,10-12,14-17H,7,9H2,1-3H3,(H,34,36,38);4-5,7,9-11,13-15,17H,1,6,8H2,2-3H3,(H,33,35,37);5-6,8,10-15,17H,1,7,9H2,2-4H3,(H,32,34,36);5-7,9,11-17H,1,8,10H2,2-3H3,(H,32,34,36)/b19-4+;;;/t4*17-/m0000/s1.
What are the key properties of (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one?
(E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one has a molecular weight of 2240.32 g/mol, XLogP of 19.27, 24 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]but-2-enenitrile;2-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridine-1-carbonyl]prop-2-enenitrile;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]buta-2,3-dien-1-one;1-[(6S)-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]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 167574287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).